Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:21:35 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Pt3PbC.save/ file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 51 22 6 1659 466 78 Max 52 23 7 1664 480 85 Sum 1861 793 241 59813 17071 2945 bravais-lattice index = 14 lattice parameter (alat) = 7.3227 a.u. unit-cell volume = 392.6554 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.322688 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for Pb read from file: /users/gautes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Pb 14.00 207.20000 Pb( 1.00) Pt 10.00 195.08400 Pt( 1.00) C 4.00 12.01070 C( 1.00) 48 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cart. axis [1,0,1] cryst. s( 9) = ( 0 0 1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 0 0 -1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 11 90 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 0 0 -1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 0 1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 22 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(27) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(28) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(28) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 29 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(29) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(29) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(33) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 34 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(34) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(34) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(35) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(37) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(39) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(41) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 0 1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( 0 0 1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(44) = ( -0.0000000 1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(45) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 0 1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( 0 -1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(48) = ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group O_h (m-3m) there are 16 classes and 6 irreducible representations the character table: E -E 8C3 -8C3 3C2 6C4 -6C4 6C2' i -i 8S6 -8S6 -3C2 -6C2' G_6+ 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 2.00 -2.00 1.00 -1.00 G_7+ 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 2.00 -2.00 1.00 -1.00 G_8+ 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 4.00 -4.00 -1.00 1.00 G_6- 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 -2.00 2.00 -1.00 1.00 G_7- 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 -2.00 2.00 -1.00 1.00 G_8- 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 -4.00 4.00 1.00 -1.00 3s_h 6S4 -6S4 6s_d -3s_h -6s_d G_6+ 0.00 1.41 -1.41 0.00 G_7+ 0.00 -1.41 1.41 0.00 G_8+ 0.00 0.00 0.00 0.00 G_6- 0.00 -1.41 1.41 0.00 G_7- 0.00 1.41 -1.41 0.00 G_8- 0.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 8C3 17 19 20 18 24 21 22 23 120 deg rotation - cart. axis [-1,-1,-1] -8C3 -17 -19 -20 -18 -24 -21 -22 -23 120 deg rotation - cart. axis [-1,-1,-1] E 3C2 -3C2 2 -2 4 -4 3 -3 180 deg rotation - cart. axis [0,0,1] 6C4 7 8 15 16 12 11 90 deg rotation - cart. axis [0,0,-1] -6C4 -7 -8 -15 -16 -12 -11 90 deg rotation - cart. axis [0,0,-1] E 6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9 180 deg rotation - cart. axis [1,1,0] i 25 inversion -i -25 inversion E 8S6 41 43 44 42 48 45 46 47 inv. 120 deg rotation - cart. axis [-1,-1,-1] -8S6 -41 -43 -44 -42 -48 -45 -46 -47 inv. 120 deg rotation - cart. axis [-1,-1,-1] E 3s_h-3s_h 26 -26 28 -28 27 -27 inv. 180 deg rotation - cart. axis [0,0,1] 6S4 31 32 39 40 36 35 inv. 90 deg rotation - cart. axis [0,0,-1] -6S4 -31 -32 -39 -40 -36 -35 inv. 90 deg rotation - cart. axis [0,0,-1] E 6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 316 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 2) = ( 0.0000000 0.0121951 -0.0000000), wk = 0.0031646 k( 3) = ( 0.0000000 0.0243902 -0.0000000), wk = 0.0031646 k( 4) = ( 0.0000000 0.0365854 -0.0000000), wk = 0.0031646 k( 5) = ( 0.0000000 0.0487805 -0.0000000), wk = 0.0031646 k( 6) = ( 0.0000000 0.0609756 -0.0000000), wk = 0.0031646 k( 7) = ( 0.0000000 0.0731707 -0.0000000), wk = 0.0031646 k( 8) = ( 0.0000000 0.0853658 -0.0000000), wk = 0.0031646 k( 9) = ( 0.0000000 0.0975610 -0.0000000), wk = 0.0031646 k( 10) = ( 0.0000000 0.1097561 -0.0000000), wk = 0.0031646 k( 11) = ( 0.0000000 0.1219512 -0.0000000), wk = 0.0031646 k( 12) = ( 0.0000000 0.1341463 -0.0000000), wk = 0.0031646 k( 13) = ( 0.0000000 0.1463415 -0.0000000), wk = 0.0031646 k( 14) = ( 0.0000000 0.1585366 -0.0000000), wk = 0.0031646 k( 15) = ( 0.0000000 0.1707317 -0.0000000), wk = 0.0031646 k( 16) = ( 0.0000000 0.1829268 -0.0000000), wk = 0.0031646 k( 17) = ( 0.0000000 0.1951219 -0.0000000), wk = 0.0031646 k( 18) = ( 0.0000000 0.2073171 -0.0000000), wk = 0.0031646 k( 19) = ( 0.0000000 0.2195122 -0.0000000), wk = 0.0031646 k( 20) = ( 0.0000000 0.2317073 -0.0000000), wk = 0.0031646 k( 21) = ( 0.0000000 0.2439024 -0.0000000), wk = 0.0031646 k( 22) = ( 0.0000000 0.2560976 -0.0000000), wk = 0.0031646 k( 23) = ( 0.0000000 0.2682927 -0.0000000), wk = 0.0031646 k( 24) = ( 0.0000000 0.2804878 -0.0000000), wk = 0.0031646 k( 25) = ( 0.0000000 0.2926829 -0.0000000), wk = 0.0031646 k( 26) = ( 0.0000000 0.3048781 -0.0000000), wk = 0.0031646 k( 27) = ( 0.0000000 0.3170732 -0.0000000), wk = 0.0031646 k( 28) = ( 0.0000000 0.3292683 -0.0000000), wk = 0.0031646 k( 29) = ( 0.0000000 0.3414634 -0.0000000), wk = 0.0031646 k( 30) = ( 0.0000000 0.3536585 -0.0000000), wk = 0.0031646 k( 31) = ( 0.0000000 0.3658537 -0.0000000), wk = 0.0031646 k( 32) = ( 0.0000000 0.3780488 -0.0000000), wk = 0.0031646 k( 33) = ( 0.0000000 0.3902439 -0.0000000), wk = 0.0031646 k( 34) = ( 0.0000000 0.4024390 -0.0000000), wk = 0.0031646 k( 35) = ( 0.0000000 0.4146341 -0.0000000), wk = 0.0031646 k( 36) = ( 0.0000000 0.4268293 -0.0000000), wk = 0.0031646 k( 37) = ( 0.0000000 0.4390244 -0.0000000), wk = 0.0031646 k( 38) = ( 0.0000000 0.4512195 -0.0000000), wk = 0.0031646 k( 39) = ( 0.0000000 0.4634146 -0.0000000), wk = 0.0031646 k( 40) = ( 0.0000000 0.4756098 -0.0000000), wk = 0.0031646 k( 41) = ( 0.0000000 0.4878049 -0.0000000), wk = 0.0031646 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031646 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031646 k( 44) = ( 0.0121951 0.5000000 -0.0000000), wk = 0.0031646 k( 45) = ( 0.0243902 0.5000000 -0.0000000), wk = 0.0031646 k( 46) = ( 0.0365854 0.5000000 -0.0000000), wk = 0.0031646 k( 47) = ( 0.0487805 0.5000000 -0.0000000), wk = 0.0031646 k( 48) = ( 0.0609756 0.5000000 -0.0000000), wk = 0.0031646 k( 49) = ( 0.0731707 0.5000000 -0.0000000), wk = 0.0031646 k( 50) = ( 0.0853658 0.5000000 -0.0000000), wk = 0.0031646 k( 51) = ( 0.0975610 0.5000000 -0.0000000), wk = 0.0031646 k( 52) = ( 0.1097561 0.5000000 -0.0000000), wk = 0.0031646 k( 53) = ( 0.1219512 0.5000000 -0.0000000), wk = 0.0031646 k( 54) = ( 0.1341463 0.5000000 -0.0000000), wk = 0.0031646 k( 55) = ( 0.1463415 0.5000000 -0.0000000), wk = 0.0031646 k( 56) = ( 0.1585366 0.5000000 -0.0000000), wk = 0.0031646 k( 57) = ( 0.1707317 0.5000000 -0.0000000), wk = 0.0031646 k( 58) = ( 0.1829268 0.5000000 -0.0000000), wk = 0.0031646 k( 59) = ( 0.1951219 0.5000000 -0.0000000), wk = 0.0031646 k( 60) = ( 0.2073171 0.5000000 -0.0000000), wk = 0.0031646 k( 61) = ( 0.2195122 0.5000000 -0.0000000), wk = 0.0031646 k( 62) = ( 0.2317073 0.5000000 -0.0000000), wk = 0.0031646 k( 63) = ( 0.2439024 0.5000000 -0.0000000), wk = 0.0031646 k( 64) = ( 0.2560976 0.5000000 -0.0000000), wk = 0.0031646 k( 65) = ( 0.2682927 0.5000000 -0.0000000), wk = 0.0031646 k( 66) = ( 0.2804878 0.5000000 -0.0000000), wk = 0.0031646 k( 67) = ( 0.2926829 0.5000000 -0.0000000), wk = 0.0031646 k( 68) = ( 0.3048781 0.5000000 -0.0000000), wk = 0.0031646 k( 69) = ( 0.3170732 0.5000000 -0.0000000), wk = 0.0031646 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0031646 k( 71) = ( 0.3414634 0.5000000 -0.0000000), wk = 0.0031646 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0031646 k( 73) = ( 0.3658537 0.5000000 -0.0000000), wk = 0.0031646 k( 74) = ( 0.3780488 0.5000000 -0.0000000), wk = 0.0031646 k( 75) = ( 0.3902439 0.5000000 -0.0000000), wk = 0.0031646 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0031646 k( 77) = ( 0.4146341 0.5000000 -0.0000000), wk = 0.0031646 k( 78) = ( 0.4268293 0.5000000 -0.0000000), wk = 0.0031646 k( 79) = ( 0.4390244 0.5000000 -0.0000000), wk = 0.0031646 k( 80) = ( 0.4512195 0.5000000 -0.0000000), wk = 0.0031646 k( 81) = ( 0.4634146 0.5000000 -0.0000000), wk = 0.0031646 k( 82) = ( 0.4756098 0.5000000 -0.0000000), wk = 0.0031646 k( 83) = ( 0.4878049 0.5000000 -0.0000000), wk = 0.0031646 k( 84) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031646 k( 85) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031646 k( 86) = ( 0.4913793 0.4913793 -0.0000000), wk = 0.0031646 k( 87) = ( 0.4827586 0.4827586 -0.0000000), wk = 0.0031646 k( 88) = ( 0.4741379 0.4741379 -0.0000000), wk = 0.0031646 k( 89) = ( 0.4655172 0.4655172 -0.0000000), wk = 0.0031646 k( 90) = ( 0.4568966 0.4568965 -0.0000000), wk = 0.0031646 k( 91) = ( 0.4482759 0.4482759 -0.0000000), wk = 0.0031646 k( 92) = ( 0.4396552 0.4396552 -0.0000000), wk = 0.0031646 k( 93) = ( 0.4310345 0.4310345 -0.0000000), wk = 0.0031646 k( 94) = ( 0.4224138 0.4224138 -0.0000000), wk = 0.0031646 k( 95) = ( 0.4137931 0.4137931 -0.0000000), wk = 0.0031646 k( 96) = ( 0.4051724 0.4051724 -0.0000000), wk = 0.0031646 k( 97) = ( 0.3965517 0.3965517 -0.0000000), wk = 0.0031646 k( 98) = ( 0.3879310 0.3879310 -0.0000000), wk = 0.0031646 k( 99) = ( 0.3793103 0.3793103 -0.0000000), wk = 0.0031646 k( 100) = ( 0.3706897 0.3706897 -0.0000000), wk = 0.0031646 k( 101) = ( 0.3620690 0.3620690 -0.0000000), wk = 0.0031646 k( 102) = ( 0.3534483 0.3534483 -0.0000000), wk = 0.0031646 k( 103) = ( 0.3448276 0.3448276 -0.0000000), wk = 0.0031646 k( 104) = ( 0.3362069 0.3362069 -0.0000000), wk = 0.0031646 k( 105) = ( 0.3275862 0.3275862 -0.0000000), wk = 0.0031646 k( 106) = ( 0.3189655 0.3189655 -0.0000000), wk = 0.0031646 k( 107) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0031646 k( 108) = ( 0.3017241 0.3017241 -0.0000000), wk = 0.0031646 k( 109) = ( 0.2931034 0.2931034 -0.0000000), wk = 0.0031646 k( 110) = ( 0.2844828 0.2844828 -0.0000000), wk = 0.0031646 k( 111) = ( 0.2758621 0.2758621 -0.0000000), wk = 0.0031646 k( 112) = ( 0.2672414 0.2672414 -0.0000000), wk = 0.0031646 k( 113) = ( 0.2586207 0.2586207 -0.0000000), wk = 0.0031646 k( 114) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0031646 k( 115) = ( 0.2413793 0.2413793 -0.0000000), wk = 0.0031646 k( 116) = ( 0.2327586 0.2327586 -0.0000000), wk = 0.0031646 k( 117) = ( 0.2241379 0.2241379 -0.0000000), wk = 0.0031646 k( 118) = ( 0.2155172 0.2155172 -0.0000000), wk = 0.0031646 k( 119) = ( 0.2068966 0.2068965 -0.0000000), wk = 0.0031646 k( 120) = ( 0.1982759 0.1982759 -0.0000000), wk = 0.0031646 k( 121) = ( 0.1896552 0.1896552 -0.0000000), wk = 0.0031646 k( 122) = ( 0.1810345 0.1810345 -0.0000000), wk = 0.0031646 k( 123) = ( 0.1724138 0.1724138 -0.0000000), wk = 0.0031646 k( 124) = ( 0.1637931 0.1637931 -0.0000000), wk = 0.0031646 k( 125) = ( 0.1551724 0.1551724 -0.0000000), wk = 0.0031646 k( 126) = ( 0.1465517 0.1465517 -0.0000000), wk = 0.0031646 k( 127) = ( 0.1379310 0.1379310 -0.0000000), wk = 0.0031646 k( 128) = ( 0.1293103 0.1293103 -0.0000000), wk = 0.0031646 k( 129) = ( 0.1206897 0.1206897 -0.0000000), wk = 0.0031646 k( 130) = ( 0.1120690 0.1120690 -0.0000000), wk = 0.0031646 k( 131) = ( 0.1034483 0.1034483 -0.0000000), wk = 0.0031646 k( 132) = ( 0.0948276 0.0948276 -0.0000000), wk = 0.0031646 k( 133) = ( 0.0862069 0.0862069 -0.0000000), wk = 0.0031646 k( 134) = ( 0.0775862 0.0775862 -0.0000000), wk = 0.0031646 k( 135) = ( 0.0689655 0.0689655 -0.0000000), wk = 0.0031646 k( 136) = ( 0.0603448 0.0603448 -0.0000000), wk = 0.0031646 k( 137) = ( 0.0517241 0.0517241 -0.0000000), wk = 0.0031646 k( 138) = ( 0.0431035 0.0431034 -0.0000000), wk = 0.0031646 k( 139) = ( 0.0344828 0.0344828 -0.0000000), wk = 0.0031646 k( 140) = ( 0.0258621 0.0258621 -0.0000000), wk = 0.0031646 k( 141) = ( 0.0172414 0.0172414 -0.0000000), wk = 0.0031646 k( 142) = ( 0.0086207 0.0086207 -0.0000000), wk = 0.0031646 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 145) = ( 0.0070422 0.0070422 0.0070422), wk = 0.0031646 k( 146) = ( 0.0140845 0.0140845 0.0140845), wk = 0.0031646 k( 147) = ( 0.0211268 0.0211268 0.0211268), wk = 0.0031646 k( 148) = ( 0.0281690 0.0281690 0.0281690), wk = 0.0031646 k( 149) = ( 0.0352113 0.0352113 0.0352113), wk = 0.0031646 k( 150) = ( 0.0422535 0.0422535 0.0422535), wk = 0.0031646 k( 151) = ( 0.0492958 0.0492958 0.0492958), wk = 0.0031646 k( 152) = ( 0.0563380 0.0563380 0.0563380), wk = 0.0031646 k( 153) = ( 0.0633803 0.0633803 0.0633803), wk = 0.0031646 k( 154) = ( 0.0704225 0.0704225 0.0704225), wk = 0.0031646 k( 155) = ( 0.0774648 0.0774648 0.0774648), wk = 0.0031646 k( 156) = ( 0.0845070 0.0845070 0.0845070), wk = 0.0031646 k( 157) = ( 0.0915493 0.0915493 0.0915493), wk = 0.0031646 k( 158) = ( 0.0985916 0.0985915 0.0985915), wk = 0.0031646 k( 159) = ( 0.1056338 0.1056338 0.1056338), wk = 0.0031646 k( 160) = ( 0.1126761 0.1126761 0.1126761), wk = 0.0031646 k( 161) = ( 0.1197183 0.1197183 0.1197183), wk = 0.0031646 k( 162) = ( 0.1267606 0.1267606 0.1267606), wk = 0.0031646 k( 163) = ( 0.1338028 0.1338028 0.1338028), wk = 0.0031646 k( 164) = ( 0.1408451 0.1408451 0.1408451), wk = 0.0031646 k( 165) = ( 0.1478873 0.1478873 0.1478873), wk = 0.0031646 k( 166) = ( 0.1549296 0.1549296 0.1549296), wk = 0.0031646 k( 167) = ( 0.1619718 0.1619718 0.1619718), wk = 0.0031646 k( 168) = ( 0.1690141 0.1690141 0.1690141), wk = 0.0031646 k( 169) = ( 0.1760563 0.1760563 0.1760563), wk = 0.0031646 k( 170) = ( 0.1830986 0.1830986 0.1830986), wk = 0.0031646 k( 171) = ( 0.1901409 0.1901408 0.1901408), wk = 0.0031646 k( 172) = ( 0.1971831 0.1971831 0.1971831), wk = 0.0031646 k( 173) = ( 0.2042253 0.2042253 0.2042253), wk = 0.0031646 k( 174) = ( 0.2112676 0.2112676 0.2112676), wk = 0.0031646 k( 175) = ( 0.2183099 0.2183099 0.2183099), wk = 0.0031646 k( 176) = ( 0.2253521 0.2253521 0.2253521), wk = 0.0031646 k( 177) = ( 0.2323944 0.2323944 0.2323944), wk = 0.0031646 k( 178) = ( 0.2394366 0.2394366 0.2394366), wk = 0.0031646 k( 179) = ( 0.2464789 0.2464789 0.2464789), wk = 0.0031646 k( 180) = ( 0.2535211 0.2535211 0.2535211), wk = 0.0031646 k( 181) = ( 0.2605634 0.2605634 0.2605634), wk = 0.0031646 k( 182) = ( 0.2676056 0.2676056 0.2676056), wk = 0.0031646 k( 183) = ( 0.2746479 0.2746479 0.2746479), wk = 0.0031646 k( 184) = ( 0.2816901 0.2816901 0.2816901), wk = 0.0031646 k( 185) = ( 0.2887324 0.2887324 0.2887324), wk = 0.0031646 k( 186) = ( 0.2957746 0.2957746 0.2957746), wk = 0.0031646 k( 187) = ( 0.3028169 0.3028169 0.3028169), wk = 0.0031646 k( 188) = ( 0.3098592 0.3098591 0.3098591), wk = 0.0031646 k( 189) = ( 0.3169014 0.3169014 0.3169014), wk = 0.0031646 k( 190) = ( 0.3239437 0.3239437 0.3239437), wk = 0.0031646 k( 191) = ( 0.3309859 0.3309859 0.3309859), wk = 0.0031646 k( 192) = ( 0.3380282 0.3380282 0.3380282), wk = 0.0031646 k( 193) = ( 0.3450704 0.3450704 0.3450704), wk = 0.0031646 k( 194) = ( 0.3521127 0.3521127 0.3521127), wk = 0.0031646 k( 195) = ( 0.3591549 0.3591549 0.3591549), wk = 0.0031646 k( 196) = ( 0.3661972 0.3661972 0.3661972), wk = 0.0031646 k( 197) = ( 0.3732394 0.3732394 0.3732394), wk = 0.0031646 k( 198) = ( 0.3802817 0.3802817 0.3802817), wk = 0.0031646 k( 199) = ( 0.3873239 0.3873239 0.3873239), wk = 0.0031646 k( 200) = ( 0.3943662 0.3943662 0.3943662), wk = 0.0031646 k( 201) = ( 0.4014085 0.4014084 0.4014084), wk = 0.0031646 k( 202) = ( 0.4084507 0.4084507 0.4084507), wk = 0.0031646 k( 203) = ( 0.4154930 0.4154930 0.4154930), wk = 0.0031646 k( 204) = ( 0.4225352 0.4225352 0.4225352), wk = 0.0031646 k( 205) = ( 0.4295775 0.4295775 0.4295775), wk = 0.0031646 k( 206) = ( 0.4366197 0.4366197 0.4366197), wk = 0.0031646 k( 207) = ( 0.4436620 0.4436620 0.4436620), wk = 0.0031646 k( 208) = ( 0.4507042 0.4507042 0.4507042), wk = 0.0031646 k( 209) = ( 0.4577465 0.4577465 0.4577465), wk = 0.0031646 k( 210) = ( 0.4647887 0.4647887 0.4647887), wk = 0.0031646 k( 211) = ( 0.4718310 0.4718310 0.4718310), wk = 0.0031646 k( 212) = ( 0.4788732 0.4788732 0.4788732), wk = 0.0031646 k( 213) = ( 0.4859155 0.4859155 0.4859155), wk = 0.0031646 k( 214) = ( 0.4929577 0.4929577 0.4929577), wk = 0.0031646 k( 215) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 216) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 217) = ( 0.4913793 0.5000000 0.4913793), wk = 0.0031646 k( 218) = ( 0.4827586 0.5000000 0.4827586), wk = 0.0031646 k( 219) = ( 0.4741379 0.5000000 0.4741379), wk = 0.0031646 k( 220) = ( 0.4655172 0.5000000 0.4655172), wk = 0.0031646 k( 221) = ( 0.4568966 0.5000000 0.4568965), wk = 0.0031646 k( 222) = ( 0.4482759 0.5000000 0.4482759), wk = 0.0031646 k( 223) = ( 0.4396552 0.5000000 0.4396552), wk = 0.0031646 k( 224) = ( 0.4310345 0.5000000 0.4310345), wk = 0.0031646 k( 225) = ( 0.4224138 0.5000000 0.4224138), wk = 0.0031646 k( 226) = ( 0.4137931 0.5000000 0.4137931), wk = 0.0031646 k( 227) = ( 0.4051724 0.5000000 0.4051724), wk = 0.0031646 k( 228) = ( 0.3965517 0.5000000 0.3965517), wk = 0.0031646 k( 229) = ( 0.3879310 0.5000000 0.3879310), wk = 0.0031646 k( 230) = ( 0.3793103 0.5000000 0.3793103), wk = 0.0031646 k( 231) = ( 0.3706897 0.5000000 0.3706897), wk = 0.0031646 k( 232) = ( 0.3620690 0.5000000 0.3620690), wk = 0.0031646 k( 233) = ( 0.3534483 0.5000000 0.3534483), wk = 0.0031646 k( 234) = ( 0.3448276 0.5000000 0.3448276), wk = 0.0031646 k( 235) = ( 0.3362069 0.5000000 0.3362069), wk = 0.0031646 k( 236) = ( 0.3275862 0.5000000 0.3275862), wk = 0.0031646 k( 237) = ( 0.3189655 0.5000000 0.3189655), wk = 0.0031646 k( 238) = ( 0.3103448 0.5000000 0.3103448), wk = 0.0031646 k( 239) = ( 0.3017241 0.5000000 0.3017241), wk = 0.0031646 k( 240) = ( 0.2931034 0.5000000 0.2931034), wk = 0.0031646 k( 241) = ( 0.2844828 0.5000000 0.2844828), wk = 0.0031646 k( 242) = ( 0.2758621 0.5000000 0.2758621), wk = 0.0031646 k( 243) = ( 0.2672414 0.5000000 0.2672414), wk = 0.0031646 k( 244) = ( 0.2586207 0.5000000 0.2586207), wk = 0.0031646 k( 245) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0031646 k( 246) = ( 0.2413793 0.5000000 0.2413793), wk = 0.0031646 k( 247) = ( 0.2327586 0.5000000 0.2327586), wk = 0.0031646 k( 248) = ( 0.2241379 0.5000000 0.2241379), wk = 0.0031646 k( 249) = ( 0.2155172 0.5000000 0.2155172), wk = 0.0031646 k( 250) = ( 0.2068966 0.5000000 0.2068965), wk = 0.0031646 k( 251) = ( 0.1982759 0.5000000 0.1982759), wk = 0.0031646 k( 252) = ( 0.1896552 0.5000000 0.1896552), wk = 0.0031646 k( 253) = ( 0.1810345 0.5000000 0.1810345), wk = 0.0031646 k( 254) = ( 0.1724138 0.5000000 0.1724138), wk = 0.0031646 k( 255) = ( 0.1637931 0.5000000 0.1637931), wk = 0.0031646 k( 256) = ( 0.1551724 0.5000000 0.1551724), wk = 0.0031646 k( 257) = ( 0.1465517 0.5000000 0.1465517), wk = 0.0031646 k( 258) = ( 0.1379310 0.5000000 0.1379310), wk = 0.0031646 k( 259) = ( 0.1293103 0.5000000 0.1293103), wk = 0.0031646 k( 260) = ( 0.1206897 0.5000000 0.1206897), wk = 0.0031646 k( 261) = ( 0.1120690 0.5000000 0.1120690), wk = 0.0031646 k( 262) = ( 0.1034483 0.5000000 0.1034483), wk = 0.0031646 k( 263) = ( 0.0948276 0.5000000 0.0948276), wk = 0.0031646 k( 264) = ( 0.0862069 0.5000000 0.0862069), wk = 0.0031646 k( 265) = ( 0.0775862 0.5000000 0.0775862), wk = 0.0031646 k( 266) = ( 0.0689655 0.5000000 0.0689655), wk = 0.0031646 k( 267) = ( 0.0603448 0.5000000 0.0603448), wk = 0.0031646 k( 268) = ( 0.0517241 0.5000000 0.0517241), wk = 0.0031646 k( 269) = ( 0.0431035 0.5000000 0.0431034), wk = 0.0031646 k( 270) = ( 0.0344828 0.5000000 0.0344828), wk = 0.0031646 k( 271) = ( 0.0258621 0.5000000 0.0258621), wk = 0.0031646 k( 272) = ( 0.0172414 0.5000000 0.0172414), wk = 0.0031646 k( 273) = ( 0.0086207 0.5000000 0.0086207), wk = 0.0031646 k( 274) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031646 k( 275) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031646 k( 276) = ( 0.5000000 0.5000000 0.0121951), wk = 0.0031646 k( 277) = ( 0.5000000 0.5000000 0.0243902), wk = 0.0031646 k( 278) = ( 0.5000000 0.5000000 0.0365854), wk = 0.0031646 k( 279) = ( 0.5000000 0.5000000 0.0487805), wk = 0.0031646 k( 280) = ( 0.5000000 0.5000000 0.0609756), wk = 0.0031646 k( 281) = ( 0.5000000 0.5000000 0.0731707), wk = 0.0031646 k( 282) = ( 0.5000000 0.5000000 0.0853658), wk = 0.0031646 k( 283) = ( 0.5000000 0.5000000 0.0975610), wk = 0.0031646 k( 284) = ( 0.5000000 0.5000000 0.1097561), wk = 0.0031646 k( 285) = ( 0.5000000 0.5000000 0.1219512), wk = 0.0031646 k( 286) = ( 0.5000000 0.5000000 0.1341463), wk = 0.0031646 k( 287) = ( 0.5000000 0.5000000 0.1463415), wk = 0.0031646 k( 288) = ( 0.5000000 0.5000000 0.1585366), wk = 0.0031646 k( 289) = ( 0.5000000 0.5000000 0.1707317), wk = 0.0031646 k( 290) = ( 0.5000000 0.5000000 0.1829268), wk = 0.0031646 k( 291) = ( 0.5000000 0.5000000 0.1951219), wk = 0.0031646 k( 292) = ( 0.5000000 0.5000000 0.2073171), wk = 0.0031646 k( 293) = ( 0.5000000 0.5000000 0.2195122), wk = 0.0031646 k( 294) = ( 0.5000000 0.5000000 0.2317073), wk = 0.0031646 k( 295) = ( 0.5000000 0.5000000 0.2439024), wk = 0.0031646 k( 296) = ( 0.5000000 0.5000000 0.2560976), wk = 0.0031646 k( 297) = ( 0.5000000 0.5000000 0.2682927), wk = 0.0031646 k( 298) = ( 0.5000000 0.5000000 0.2804878), wk = 0.0031646 k( 299) = ( 0.5000000 0.5000000 0.2926829), wk = 0.0031646 k( 300) = ( 0.5000000 0.5000000 0.3048780), wk = 0.0031646 k( 301) = ( 0.5000000 0.5000000 0.3170732), wk = 0.0031646 k( 302) = ( 0.5000000 0.5000000 0.3292683), wk = 0.0031646 k( 303) = ( 0.5000000 0.5000000 0.3414634), wk = 0.0031646 k( 304) = ( 0.5000000 0.5000000 0.3536585), wk = 0.0031646 k( 305) = ( 0.5000000 0.5000000 0.3658537), wk = 0.0031646 k( 306) = ( 0.5000000 0.5000000 0.3780488), wk = 0.0031646 k( 307) = ( 0.5000000 0.5000000 0.3902439), wk = 0.0031646 k( 308) = ( 0.5000000 0.5000000 0.4024390), wk = 0.0031646 k( 309) = ( 0.5000000 0.5000000 0.4146341), wk = 0.0031646 k( 310) = ( 0.5000000 0.5000000 0.4268293), wk = 0.0031646 k( 311) = ( 0.5000000 0.5000000 0.4390244), wk = 0.0031646 k( 312) = ( 0.5000000 0.5000000 0.4512195), wk = 0.0031646 k( 313) = ( 0.5000000 0.5000000 0.4634146), wk = 0.0031646 k( 314) = ( 0.5000000 0.5000000 0.4756098), wk = 0.0031646 k( 315) = ( 0.5000000 0.5000000 0.4878049), wk = 0.0031646 k( 316) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 2) = ( 0.0000000 0.0121951 0.0000000), wk = 0.0031646 k( 3) = ( 0.0000000 0.0243902 0.0000000), wk = 0.0031646 k( 4) = ( 0.0000000 0.0365854 0.0000000), wk = 0.0031646 k( 5) = ( 0.0000000 0.0487805 0.0000000), wk = 0.0031646 k( 6) = ( 0.0000000 0.0609756 0.0000000), wk = 0.0031646 k( 7) = ( 0.0000000 0.0731707 0.0000000), wk = 0.0031646 k( 8) = ( 0.0000000 0.0853658 0.0000000), wk = 0.0031646 k( 9) = ( 0.0000000 0.0975610 0.0000000), wk = 0.0031646 k( 10) = ( 0.0000000 0.1097561 0.0000000), wk = 0.0031646 k( 11) = ( 0.0000000 0.1219512 0.0000000), wk = 0.0031646 k( 12) = ( 0.0000000 0.1341463 0.0000000), wk = 0.0031646 k( 13) = ( 0.0000000 0.1463415 0.0000000), wk = 0.0031646 k( 14) = ( 0.0000000 0.1585366 0.0000000), wk = 0.0031646 k( 15) = ( 0.0000000 0.1707317 0.0000000), wk = 0.0031646 k( 16) = ( 0.0000000 0.1829268 0.0000000), wk = 0.0031646 k( 17) = ( 0.0000000 0.1951219 0.0000000), wk = 0.0031646 k( 18) = ( 0.0000000 0.2073171 0.0000000), wk = 0.0031646 k( 19) = ( 0.0000000 0.2195122 0.0000000), wk = 0.0031646 k( 20) = ( 0.0000000 0.2317073 0.0000000), wk = 0.0031646 k( 21) = ( 0.0000000 0.2439024 0.0000000), wk = 0.0031646 k( 22) = ( 0.0000000 0.2560976 0.0000000), wk = 0.0031646 k( 23) = ( 0.0000000 0.2682927 0.0000000), wk = 0.0031646 k( 24) = ( 0.0000000 0.2804878 0.0000000), wk = 0.0031646 k( 25) = ( 0.0000000 0.2926829 0.0000000), wk = 0.0031646 k( 26) = ( 0.0000000 0.3048781 0.0000000), wk = 0.0031646 k( 27) = ( 0.0000000 0.3170732 0.0000000), wk = 0.0031646 k( 28) = ( 0.0000000 0.3292683 0.0000000), wk = 0.0031646 k( 29) = ( 0.0000000 0.3414634 0.0000000), wk = 0.0031646 k( 30) = ( 0.0000000 0.3536585 0.0000000), wk = 0.0031646 k( 31) = ( 0.0000000 0.3658537 0.0000000), wk = 0.0031646 k( 32) = ( 0.0000000 0.3780488 0.0000000), wk = 0.0031646 k( 33) = ( 0.0000000 0.3902439 0.0000000), wk = 0.0031646 k( 34) = ( 0.0000000 0.4024390 0.0000000), wk = 0.0031646 k( 35) = ( 0.0000000 0.4146341 0.0000000), wk = 0.0031646 k( 36) = ( 0.0000000 0.4268293 0.0000000), wk = 0.0031646 k( 37) = ( 0.0000000 0.4390244 0.0000000), wk = 0.0031646 k( 38) = ( 0.0000000 0.4512195 0.0000000), wk = 0.0031646 k( 39) = ( 0.0000000 0.4634146 0.0000000), wk = 0.0031646 k( 40) = ( 0.0000000 0.4756098 0.0000000), wk = 0.0031646 k( 41) = ( 0.0000000 0.4878049 0.0000000), wk = 0.0031646 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031646 k( 43) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031646 k( 44) = ( 0.0121951 0.5000000 0.0000000), wk = 0.0031646 k( 45) = ( 0.0243902 0.5000000 0.0000000), wk = 0.0031646 k( 46) = ( 0.0365854 0.5000000 0.0000000), wk = 0.0031646 k( 47) = ( 0.0487805 0.5000000 0.0000000), wk = 0.0031646 k( 48) = ( 0.0609756 0.5000000 0.0000000), wk = 0.0031646 k( 49) = ( 0.0731707 0.5000000 0.0000000), wk = 0.0031646 k( 50) = ( 0.0853658 0.5000000 0.0000000), wk = 0.0031646 k( 51) = ( 0.0975610 0.5000000 0.0000000), wk = 0.0031646 k( 52) = ( 0.1097561 0.5000000 0.0000000), wk = 0.0031646 k( 53) = ( 0.1219512 0.5000000 0.0000000), wk = 0.0031646 k( 54) = ( 0.1341463 0.5000000 0.0000000), wk = 0.0031646 k( 55) = ( 0.1463415 0.5000000 0.0000000), wk = 0.0031646 k( 56) = ( 0.1585366 0.5000000 0.0000000), wk = 0.0031646 k( 57) = ( 0.1707317 0.5000000 0.0000000), wk = 0.0031646 k( 58) = ( 0.1829268 0.5000000 0.0000000), wk = 0.0031646 k( 59) = ( 0.1951219 0.5000000 0.0000000), wk = 0.0031646 k( 60) = ( 0.2073171 0.5000000 0.0000000), wk = 0.0031646 k( 61) = ( 0.2195122 0.5000000 0.0000000), wk = 0.0031646 k( 62) = ( 0.2317073 0.5000000 0.0000000), wk = 0.0031646 k( 63) = ( 0.2439024 0.5000000 0.0000000), wk = 0.0031646 k( 64) = ( 0.2560976 0.5000000 0.0000000), wk = 0.0031646 k( 65) = ( 0.2682927 0.5000000 0.0000000), wk = 0.0031646 k( 66) = ( 0.2804878 0.5000000 0.0000000), wk = 0.0031646 k( 67) = ( 0.2926829 0.5000000 0.0000000), wk = 0.0031646 k( 68) = ( 0.3048781 0.5000000 0.0000000), wk = 0.0031646 k( 69) = ( 0.3170732 0.5000000 0.0000000), wk = 0.0031646 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0031646 k( 71) = ( 0.3414634 0.5000000 0.0000000), wk = 0.0031646 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0031646 k( 73) = ( 0.3658537 0.5000000 0.0000000), wk = 0.0031646 k( 74) = ( 0.3780488 0.5000000 0.0000000), wk = 0.0031646 k( 75) = ( 0.3902439 0.5000000 0.0000000), wk = 0.0031646 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0031646 k( 77) = ( 0.4146341 0.5000000 0.0000000), wk = 0.0031646 k( 78) = ( 0.4268293 0.5000000 0.0000000), wk = 0.0031646 k( 79) = ( 0.4390244 0.5000000 0.0000000), wk = 0.0031646 k( 80) = ( 0.4512195 0.5000000 0.0000000), wk = 0.0031646 k( 81) = ( 0.4634146 0.5000000 0.0000000), wk = 0.0031646 k( 82) = ( 0.4756098 0.5000000 0.0000000), wk = 0.0031646 k( 83) = ( 0.4878049 0.5000000 0.0000000), wk = 0.0031646 k( 84) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031646 k( 85) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031646 k( 86) = ( 0.4913793 0.4913793 0.0000000), wk = 0.0031646 k( 87) = ( 0.4827586 0.4827586 0.0000000), wk = 0.0031646 k( 88) = ( 0.4741379 0.4741379 0.0000000), wk = 0.0031646 k( 89) = ( 0.4655172 0.4655172 0.0000000), wk = 0.0031646 k( 90) = ( 0.4568966 0.4568966 0.0000000), wk = 0.0031646 k( 91) = ( 0.4482759 0.4482759 0.0000000), wk = 0.0031646 k( 92) = ( 0.4396552 0.4396552 0.0000000), wk = 0.0031646 k( 93) = ( 0.4310345 0.4310345 0.0000000), wk = 0.0031646 k( 94) = ( 0.4224138 0.4224138 0.0000000), wk = 0.0031646 k( 95) = ( 0.4137931 0.4137931 0.0000000), wk = 0.0031646 k( 96) = ( 0.4051724 0.4051724 0.0000000), wk = 0.0031646 k( 97) = ( 0.3965517 0.3965517 0.0000000), wk = 0.0031646 k( 98) = ( 0.3879310 0.3879310 0.0000000), wk = 0.0031646 k( 99) = ( 0.3793103 0.3793103 0.0000000), wk = 0.0031646 k( 100) = ( 0.3706897 0.3706897 0.0000000), wk = 0.0031646 k( 101) = ( 0.3620690 0.3620690 0.0000000), wk = 0.0031646 k( 102) = ( 0.3534483 0.3534483 0.0000000), wk = 0.0031646 k( 103) = ( 0.3448276 0.3448276 0.0000000), wk = 0.0031646 k( 104) = ( 0.3362069 0.3362069 0.0000000), wk = 0.0031646 k( 105) = ( 0.3275862 0.3275862 0.0000000), wk = 0.0031646 k( 106) = ( 0.3189655 0.3189655 0.0000000), wk = 0.0031646 k( 107) = ( 0.3103448 0.3103448 0.0000000), wk = 0.0031646 k( 108) = ( 0.3017241 0.3017241 0.0000000), wk = 0.0031646 k( 109) = ( 0.2931034 0.2931034 0.0000000), wk = 0.0031646 k( 110) = ( 0.2844828 0.2844828 0.0000000), wk = 0.0031646 k( 111) = ( 0.2758621 0.2758621 0.0000000), wk = 0.0031646 k( 112) = ( 0.2672414 0.2672414 0.0000000), wk = 0.0031646 k( 113) = ( 0.2586207 0.2586207 0.0000000), wk = 0.0031646 k( 114) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0031646 k( 115) = ( 0.2413793 0.2413793 0.0000000), wk = 0.0031646 k( 116) = ( 0.2327586 0.2327586 0.0000000), wk = 0.0031646 k( 117) = ( 0.2241379 0.2241379 0.0000000), wk = 0.0031646 k( 118) = ( 0.2155172 0.2155172 0.0000000), wk = 0.0031646 k( 119) = ( 0.2068966 0.2068966 0.0000000), wk = 0.0031646 k( 120) = ( 0.1982759 0.1982759 0.0000000), wk = 0.0031646 k( 121) = ( 0.1896552 0.1896552 0.0000000), wk = 0.0031646 k( 122) = ( 0.1810345 0.1810345 0.0000000), wk = 0.0031646 k( 123) = ( 0.1724138 0.1724138 0.0000000), wk = 0.0031646 k( 124) = ( 0.1637931 0.1637931 0.0000000), wk = 0.0031646 k( 125) = ( 0.1551724 0.1551724 0.0000000), wk = 0.0031646 k( 126) = ( 0.1465517 0.1465517 0.0000000), wk = 0.0031646 k( 127) = ( 0.1379310 0.1379310 0.0000000), wk = 0.0031646 k( 128) = ( 0.1293103 0.1293103 0.0000000), wk = 0.0031646 k( 129) = ( 0.1206897 0.1206897 0.0000000), wk = 0.0031646 k( 130) = ( 0.1120690 0.1120690 0.0000000), wk = 0.0031646 k( 131) = ( 0.1034483 0.1034483 0.0000000), wk = 0.0031646 k( 132) = ( 0.0948276 0.0948276 0.0000000), wk = 0.0031646 k( 133) = ( 0.0862069 0.0862069 0.0000000), wk = 0.0031646 k( 134) = ( 0.0775862 0.0775862 0.0000000), wk = 0.0031646 k( 135) = ( 0.0689655 0.0689655 0.0000000), wk = 0.0031646 k( 136) = ( 0.0603448 0.0603448 0.0000000), wk = 0.0031646 k( 137) = ( 0.0517241 0.0517241 0.0000000), wk = 0.0031646 k( 138) = ( 0.0431035 0.0431035 0.0000000), wk = 0.0031646 k( 139) = ( 0.0344828 0.0344828 0.0000000), wk = 0.0031646 k( 140) = ( 0.0258621 0.0258621 0.0000000), wk = 0.0031646 k( 141) = ( 0.0172414 0.0172414 0.0000000), wk = 0.0031646 k( 142) = ( 0.0086207 0.0086207 0.0000000), wk = 0.0031646 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 145) = ( 0.0070422 0.0070422 0.0070422), wk = 0.0031646 k( 146) = ( 0.0140845 0.0140845 0.0140845), wk = 0.0031646 k( 147) = ( 0.0211268 0.0211268 0.0211268), wk = 0.0031646 k( 148) = ( 0.0281690 0.0281690 0.0281690), wk = 0.0031646 k( 149) = ( 0.0352113 0.0352113 0.0352113), wk = 0.0031646 k( 150) = ( 0.0422535 0.0422535 0.0422535), wk = 0.0031646 k( 151) = ( 0.0492958 0.0492958 0.0492958), wk = 0.0031646 k( 152) = ( 0.0563380 0.0563380 0.0563380), wk = 0.0031646 k( 153) = ( 0.0633803 0.0633803 0.0633803), wk = 0.0031646 k( 154) = ( 0.0704225 0.0704225 0.0704225), wk = 0.0031646 k( 155) = ( 0.0774648 0.0774648 0.0774648), wk = 0.0031646 k( 156) = ( 0.0845070 0.0845070 0.0845070), wk = 0.0031646 k( 157) = ( 0.0915493 0.0915493 0.0915493), wk = 0.0031646 k( 158) = ( 0.0985916 0.0985916 0.0985916), wk = 0.0031646 k( 159) = ( 0.1056338 0.1056338 0.1056338), wk = 0.0031646 k( 160) = ( 0.1126761 0.1126761 0.1126761), wk = 0.0031646 k( 161) = ( 0.1197183 0.1197183 0.1197183), wk = 0.0031646 k( 162) = ( 0.1267606 0.1267606 0.1267606), wk = 0.0031646 k( 163) = ( 0.1338028 0.1338028 0.1338028), wk = 0.0031646 k( 164) = ( 0.1408451 0.1408451 0.1408451), wk = 0.0031646 k( 165) = ( 0.1478873 0.1478873 0.1478873), wk = 0.0031646 k( 166) = ( 0.1549296 0.1549296 0.1549296), wk = 0.0031646 k( 167) = ( 0.1619718 0.1619718 0.1619718), wk = 0.0031646 k( 168) = ( 0.1690141 0.1690141 0.1690141), wk = 0.0031646 k( 169) = ( 0.1760563 0.1760563 0.1760563), wk = 0.0031646 k( 170) = ( 0.1830986 0.1830986 0.1830986), wk = 0.0031646 k( 171) = ( 0.1901409 0.1901409 0.1901409), wk = 0.0031646 k( 172) = ( 0.1971831 0.1971831 0.1971831), wk = 0.0031646 k( 173) = ( 0.2042253 0.2042253 0.2042253), wk = 0.0031646 k( 174) = ( 0.2112676 0.2112676 0.2112676), wk = 0.0031646 k( 175) = ( 0.2183099 0.2183099 0.2183099), wk = 0.0031646 k( 176) = ( 0.2253521 0.2253521 0.2253521), wk = 0.0031646 k( 177) = ( 0.2323944 0.2323944 0.2323944), wk = 0.0031646 k( 178) = ( 0.2394366 0.2394366 0.2394366), wk = 0.0031646 k( 179) = ( 0.2464789 0.2464789 0.2464789), wk = 0.0031646 k( 180) = ( 0.2535211 0.2535211 0.2535211), wk = 0.0031646 k( 181) = ( 0.2605634 0.2605634 0.2605634), wk = 0.0031646 k( 182) = ( 0.2676056 0.2676056 0.2676056), wk = 0.0031646 k( 183) = ( 0.2746479 0.2746479 0.2746479), wk = 0.0031646 k( 184) = ( 0.2816901 0.2816901 0.2816901), wk = 0.0031646 k( 185) = ( 0.2887324 0.2887324 0.2887324), wk = 0.0031646 k( 186) = ( 0.2957746 0.2957746 0.2957746), wk = 0.0031646 k( 187) = ( 0.3028169 0.3028169 0.3028169), wk = 0.0031646 k( 188) = ( 0.3098592 0.3098592 0.3098592), wk = 0.0031646 k( 189) = ( 0.3169014 0.3169014 0.3169014), wk = 0.0031646 k( 190) = ( 0.3239437 0.3239437 0.3239437), wk = 0.0031646 k( 191) = ( 0.3309859 0.3309859 0.3309859), wk = 0.0031646 k( 192) = ( 0.3380282 0.3380282 0.3380282), wk = 0.0031646 k( 193) = ( 0.3450704 0.3450704 0.3450704), wk = 0.0031646 k( 194) = ( 0.3521127 0.3521127 0.3521127), wk = 0.0031646 k( 195) = ( 0.3591549 0.3591549 0.3591549), wk = 0.0031646 k( 196) = ( 0.3661972 0.3661972 0.3661972), wk = 0.0031646 k( 197) = ( 0.3732394 0.3732394 0.3732394), wk = 0.0031646 k( 198) = ( 0.3802817 0.3802817 0.3802817), wk = 0.0031646 k( 199) = ( 0.3873239 0.3873239 0.3873239), wk = 0.0031646 k( 200) = ( 0.3943662 0.3943662 0.3943662), wk = 0.0031646 k( 201) = ( 0.4014085 0.4014085 0.4014085), wk = 0.0031646 k( 202) = ( 0.4084507 0.4084507 0.4084507), wk = 0.0031646 k( 203) = ( 0.4154930 0.4154930 0.4154930), wk = 0.0031646 k( 204) = ( 0.4225352 0.4225352 0.4225352), wk = 0.0031646 k( 205) = ( 0.4295775 0.4295775 0.4295775), wk = 0.0031646 k( 206) = ( 0.4366197 0.4366197 0.4366197), wk = 0.0031646 k( 207) = ( 0.4436620 0.4436620 0.4436620), wk = 0.0031646 k( 208) = ( 0.4507042 0.4507042 0.4507042), wk = 0.0031646 k( 209) = ( 0.4577465 0.4577465 0.4577465), wk = 0.0031646 k( 210) = ( 0.4647887 0.4647887 0.4647887), wk = 0.0031646 k( 211) = ( 0.4718310 0.4718310 0.4718310), wk = 0.0031646 k( 212) = ( 0.4788732 0.4788732 0.4788732), wk = 0.0031646 k( 213) = ( 0.4859155 0.4859155 0.4859155), wk = 0.0031646 k( 214) = ( 0.4929577 0.4929577 0.4929577), wk = 0.0031646 k( 215) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 216) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 217) = ( 0.4913793 0.5000000 0.4913793), wk = 0.0031646 k( 218) = ( 0.4827586 0.5000000 0.4827586), wk = 0.0031646 k( 219) = ( 0.4741379 0.5000000 0.4741379), wk = 0.0031646 k( 220) = ( 0.4655172 0.5000000 0.4655172), wk = 0.0031646 k( 221) = ( 0.4568966 0.5000000 0.4568966), wk = 0.0031646 k( 222) = ( 0.4482759 0.5000000 0.4482759), wk = 0.0031646 k( 223) = ( 0.4396552 0.5000000 0.4396552), wk = 0.0031646 k( 224) = ( 0.4310345 0.5000000 0.4310345), wk = 0.0031646 k( 225) = ( 0.4224138 0.5000000 0.4224138), wk = 0.0031646 k( 226) = ( 0.4137931 0.5000000 0.4137931), wk = 0.0031646 k( 227) = ( 0.4051724 0.5000000 0.4051724), wk = 0.0031646 k( 228) = ( 0.3965517 0.5000000 0.3965517), wk = 0.0031646 k( 229) = ( 0.3879310 0.5000000 0.3879310), wk = 0.0031646 k( 230) = ( 0.3793103 0.5000000 0.3793103), wk = 0.0031646 k( 231) = ( 0.3706897 0.5000000 0.3706897), wk = 0.0031646 k( 232) = ( 0.3620690 0.5000000 0.3620690), wk = 0.0031646 k( 233) = ( 0.3534483 0.5000000 0.3534483), wk = 0.0031646 k( 234) = ( 0.3448276 0.5000000 0.3448276), wk = 0.0031646 k( 235) = ( 0.3362069 0.5000000 0.3362069), wk = 0.0031646 k( 236) = ( 0.3275862 0.5000000 0.3275862), wk = 0.0031646 k( 237) = ( 0.3189655 0.5000000 0.3189655), wk = 0.0031646 k( 238) = ( 0.3103448 0.5000000 0.3103448), wk = 0.0031646 k( 239) = ( 0.3017241 0.5000000 0.3017241), wk = 0.0031646 k( 240) = ( 0.2931034 0.5000000 0.2931034), wk = 0.0031646 k( 241) = ( 0.2844828 0.5000000 0.2844828), wk = 0.0031646 k( 242) = ( 0.2758621 0.5000000 0.2758621), wk = 0.0031646 k( 243) = ( 0.2672414 0.5000000 0.2672414), wk = 0.0031646 k( 244) = ( 0.2586207 0.5000000 0.2586207), wk = 0.0031646 k( 245) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0031646 k( 246) = ( 0.2413793 0.5000000 0.2413793), wk = 0.0031646 k( 247) = ( 0.2327586 0.5000000 0.2327586), wk = 0.0031646 k( 248) = ( 0.2241379 0.5000000 0.2241379), wk = 0.0031646 k( 249) = ( 0.2155172 0.5000000 0.2155172), wk = 0.0031646 k( 250) = ( 0.2068966 0.5000000 0.2068966), wk = 0.0031646 k( 251) = ( 0.1982759 0.5000000 0.1982759), wk = 0.0031646 k( 252) = ( 0.1896552 0.5000000 0.1896552), wk = 0.0031646 k( 253) = ( 0.1810345 0.5000000 0.1810345), wk = 0.0031646 k( 254) = ( 0.1724138 0.5000000 0.1724138), wk = 0.0031646 k( 255) = ( 0.1637931 0.5000000 0.1637931), wk = 0.0031646 k( 256) = ( 0.1551724 0.5000000 0.1551724), wk = 0.0031646 k( 257) = ( 0.1465517 0.5000000 0.1465517), wk = 0.0031646 k( 258) = ( 0.1379310 0.5000000 0.1379310), wk = 0.0031646 k( 259) = ( 0.1293103 0.5000000 0.1293103), wk = 0.0031646 k( 260) = ( 0.1206897 0.5000000 0.1206897), wk = 0.0031646 k( 261) = ( 0.1120690 0.5000000 0.1120690), wk = 0.0031646 k( 262) = ( 0.1034483 0.5000000 0.1034483), wk = 0.0031646 k( 263) = ( 0.0948276 0.5000000 0.0948276), wk = 0.0031646 k( 264) = ( 0.0862069 0.5000000 0.0862069), wk = 0.0031646 k( 265) = ( 0.0775862 0.5000000 0.0775862), wk = 0.0031646 k( 266) = ( 0.0689655 0.5000000 0.0689655), wk = 0.0031646 k( 267) = ( 0.0603448 0.5000000 0.0603448), wk = 0.0031646 k( 268) = ( 0.0517241 0.5000000 0.0517241), wk = 0.0031646 k( 269) = ( 0.0431035 0.5000000 0.0431035), wk = 0.0031646 k( 270) = ( 0.0344828 0.5000000 0.0344828), wk = 0.0031646 k( 271) = ( 0.0258621 0.5000000 0.0258621), wk = 0.0031646 k( 272) = ( 0.0172414 0.5000000 0.0172414), wk = 0.0031646 k( 273) = ( 0.0086207 0.5000000 0.0086207), wk = 0.0031646 k( 274) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031646 k( 275) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031646 k( 276) = ( 0.5000000 0.5000000 0.0121951), wk = 0.0031646 k( 277) = ( 0.5000000 0.5000000 0.0243902), wk = 0.0031646 k( 278) = ( 0.5000000 0.5000000 0.0365854), wk = 0.0031646 k( 279) = ( 0.5000000 0.5000000 0.0487805), wk = 0.0031646 k( 280) = ( 0.5000000 0.5000000 0.0609756), wk = 0.0031646 k( 281) = ( 0.5000000 0.5000000 0.0731707), wk = 0.0031646 k( 282) = ( 0.5000000 0.5000000 0.0853658), wk = 0.0031646 k( 283) = ( 0.5000000 0.5000000 0.0975610), wk = 0.0031646 k( 284) = ( 0.5000000 0.5000000 0.1097561), wk = 0.0031646 k( 285) = ( 0.5000000 0.5000000 0.1219512), wk = 0.0031646 k( 286) = ( 0.5000000 0.5000000 0.1341463), wk = 0.0031646 k( 287) = ( 0.5000000 0.5000000 0.1463415), wk = 0.0031646 k( 288) = ( 0.5000000 0.5000000 0.1585366), wk = 0.0031646 k( 289) = ( 0.5000000 0.5000000 0.1707317), wk = 0.0031646 k( 290) = ( 0.5000000 0.5000000 0.1829268), wk = 0.0031646 k( 291) = ( 0.5000000 0.5000000 0.1951219), wk = 0.0031646 k( 292) = ( 0.5000000 0.5000000 0.2073171), wk = 0.0031646 k( 293) = ( 0.5000000 0.5000000 0.2195122), wk = 0.0031646 k( 294) = ( 0.5000000 0.5000000 0.2317073), wk = 0.0031646 k( 295) = ( 0.5000000 0.5000000 0.2439024), wk = 0.0031646 k( 296) = ( 0.5000000 0.5000000 0.2560976), wk = 0.0031646 k( 297) = ( 0.5000000 0.5000000 0.2682927), wk = 0.0031646 k( 298) = ( 0.5000000 0.5000000 0.2804878), wk = 0.0031646 k( 299) = ( 0.5000000 0.5000000 0.2926829), wk = 0.0031646 k( 300) = ( 0.5000000 0.5000000 0.3048781), wk = 0.0031646 k( 301) = ( 0.5000000 0.5000000 0.3170732), wk = 0.0031646 k( 302) = ( 0.5000000 0.5000000 0.3292683), wk = 0.0031646 k( 303) = ( 0.5000000 0.5000000 0.3414634), wk = 0.0031646 k( 304) = ( 0.5000000 0.5000000 0.3536585), wk = 0.0031646 k( 305) = ( 0.5000000 0.5000000 0.3658537), wk = 0.0031646 k( 306) = ( 0.5000000 0.5000000 0.3780488), wk = 0.0031646 k( 307) = ( 0.5000000 0.5000000 0.3902439), wk = 0.0031646 k( 308) = ( 0.5000000 0.5000000 0.4024390), wk = 0.0031646 k( 309) = ( 0.5000000 0.5000000 0.4146341), wk = 0.0031646 k( 310) = ( 0.5000000 0.5000000 0.4268293), wk = 0.0031646 k( 311) = ( 0.5000000 0.5000000 0.4390244), wk = 0.0031646 k( 312) = ( 0.5000000 0.5000000 0.4512195), wk = 0.0031646 k( 313) = ( 0.5000000 0.5000000 0.4634146), wk = 0.0031646 k( 314) = ( 0.5000000 0.5000000 0.4756098), wk = 0.0031646 k( 315) = ( 0.5000000 0.5000000 0.4878049), wk = 0.0031646 k( 316) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 Dense grid: 59813 G-vectors FFT dimensions: ( 50, 50, 50) Smooth grid: 17071 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 128, 58) NL pseudopotentials 0.15 Mb ( 64, 150) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 1661) G-vector shells 0.00 Mb ( 356) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.45 Mb ( 128, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.27 Mb ( 150, 2, 58) The potential is recalculated from file : ./Pt3PbC.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 4.8 secs Computing kpt #: 3 total cpu time spent up to now is 5.6 secs Computing kpt #: 4 total cpu time spent up to now is 6.1 secs Computing kpt #: 5 total cpu time spent up to now is 6.6 secs Computing kpt #: 6 total cpu time spent up to now is 7.0 secs Computing kpt #: 7 total cpu time spent up to now is 7.5 secs Computing kpt #: 8 total cpu time spent up to now is 7.9 secs Computing kpt #: 9 total cpu time spent up to now is 8.4 secs Computing kpt #: 10 total cpu time spent up to now is 8.8 secs Computing kpt #: 11 total cpu time spent up to now is 9.2 secs Computing kpt #: 12 total cpu time spent up to now is 9.7 secs Computing kpt #: 13 total cpu time spent up to now is 10.1 secs Computing kpt #: 14 total cpu time spent up to now is 10.5 secs Computing kpt #: 15 total cpu time spent up to now is 10.9 secs Computing kpt #: 16 total cpu time spent up to now is 11.3 secs Computing kpt #: 17 total cpu time spent up to now is 11.7 secs Computing kpt #: 18 total cpu time spent up to now is 12.1 secs Computing kpt #: 19 total cpu time spent up to now is 12.5 secs Computing kpt #: 20 total cpu time spent up to now is 12.8 secs Computing kpt #: 21 total cpu time spent up to now is 13.2 secs Computing kpt #: 22 total cpu time spent up to now is 13.6 secs Computing kpt #: 23 total cpu time spent up to now is 13.9 secs Computing kpt #: 24 total cpu time spent up to now is 14.3 secs Computing kpt #: 25 total cpu time spent up to now is 14.7 secs Computing kpt #: 26 total cpu time spent up to now is 15.1 secs Computing kpt #: 27 total cpu time spent up to now is 15.5 secs Computing kpt #: 28 total cpu time spent up to now is 15.9 secs Computing kpt #: 29 total cpu time spent up to now is 16.3 secs Computing kpt #: 30 total cpu time spent up to now is 16.7 secs Computing kpt #: 31 total cpu time spent up to now is 17.0 secs Computing kpt #: 32 total cpu time spent up to now is 17.4 secs Computing kpt #: 33 total cpu time spent up to now is 17.8 secs Computing kpt #: 34 total cpu time spent up to now is 18.2 secs Computing kpt #: 35 total cpu time spent up to now is 18.6 secs Computing kpt #: 36 total cpu time spent up to now is 19.0 secs Computing kpt #: 37 total cpu time spent up to now is 19.4 secs Computing kpt #: 38 total cpu time spent up to now is 19.7 secs Computing kpt #: 39 total cpu time spent up to now is 20.5 secs Computing kpt #: 40 total cpu time spent up to now is 20.8 secs Computing kpt #: 41 total cpu time spent up to now is 21.2 secs Computing kpt #: 42 total cpu time spent up to now is 21.5 secs Computing kpt #: 43 total cpu time spent up to now is 21.9 secs Computing kpt #: 44 total cpu time spent up to now is 22.2 secs Computing kpt #: 45 total cpu time spent up to now is 22.6 secs Computing kpt #: 46 total cpu time spent up to now is 23.0 secs Computing kpt #: 47 total cpu time spent up to now is 23.4 secs Computing kpt #: 48 total cpu time spent up to now is 23.7 secs Computing kpt #: 49 total cpu time spent up to now is 24.1 secs Computing kpt #: 50 total cpu time spent up to now is 24.5 secs Computing kpt #: 51 total cpu time spent up to now is 24.9 secs Computing kpt #: 52 total cpu time spent up to now is 25.3 secs Computing kpt #: 53 total cpu time spent up to now is 25.7 secs Computing kpt #: 54 total cpu time spent up to now is 26.1 secs Computing kpt #: 55 total cpu time spent up to now is 26.5 secs Computing kpt #: 56 total cpu time spent up to now is 26.9 secs Computing kpt #: 57 total cpu time spent up to now is 27.3 secs Computing kpt #: 58 total cpu time spent up to now is 27.7 secs Computing kpt #: 59 total cpu time spent up to now is 28.1 secs Computing kpt #: 60 total cpu time spent up to now is 28.5 secs Computing kpt #: 61 total cpu time spent up to now is 28.9 secs Computing kpt #: 62 total cpu time spent up to now is 29.3 secs Computing kpt #: 63 total cpu time spent up to now is 29.7 secs Computing kpt #: 64 total cpu time spent up to now is 30.1 secs Computing kpt #: 65 total cpu time spent up to now is 30.5 secs Computing kpt #: 66 total cpu time spent up to now is 31.0 secs Computing kpt #: 67 total cpu time spent up to now is 31.4 secs Computing kpt #: 68 total cpu time spent up to now is 31.8 secs Computing kpt #: 69 total cpu time spent up to now is 32.3 secs Computing kpt #: 70 total cpu time spent up to now is 32.7 secs Computing kpt #: 71 total cpu time spent up to now is 33.2 secs Computing kpt #: 72 total cpu time spent up to now is 33.7 secs Computing kpt #: 73 total cpu time spent up to now is 34.2 secs Computing kpt #: 74 total cpu time spent up to now is 34.7 secs Computing kpt #: 75 total cpu time spent up to now is 35.2 secs Computing kpt #: 76 total cpu time spent up to now is 35.7 secs Computing kpt #: 77 total cpu time spent up to now is 36.2 secs Computing kpt #: 78 total cpu time spent up to now is 36.6 secs Computing kpt #: 79 total cpu time spent up to now is 37.1 secs Computing kpt #: 80 total cpu time spent up to now is 37.5 secs Computing kpt #: 81 total cpu time spent up to now is 37.9 secs Computing kpt #: 82 total cpu time spent up to now is 38.3 secs Computing kpt #: 83 total cpu time spent up to now is 38.7 secs Computing kpt #: 84 total cpu time spent up to now is 39.1 secs Computing kpt #: 85 total cpu time spent up to now is 39.5 secs Computing kpt #: 86 total cpu time spent up to now is 39.9 secs Computing kpt #: 87 total cpu time spent up to now is 40.4 secs Computing kpt #: 88 total cpu time spent up to now is 40.8 secs Computing kpt #: 89 total cpu time spent up to now is 41.2 secs Computing kpt #: 90 total cpu time spent up to now is 41.6 secs Computing kpt #: 91 total cpu time spent up to now is 42.1 secs Computing kpt #: 92 total cpu time spent up to now is 42.5 secs Computing kpt #: 93 total cpu time spent up to now is 43.0 secs Computing kpt #: 94 total cpu time spent up to now is 43.5 secs Computing kpt #: 95 total cpu time spent up to now is 44.0 secs Computing kpt #: 96 total cpu time spent up to now is 44.5 secs Computing kpt #: 97 total cpu time spent up to now is 44.9 secs Computing kpt #: 98 total cpu time spent up to now is 45.4 secs Computing kpt #: 99 total cpu time spent up to now is 45.8 secs Computing kpt #: 100 total cpu time spent up to now is 46.2 secs Computing kpt #: 101 total cpu time spent up to now is 46.6 secs Computing kpt #: 102 total cpu time spent up to now is 47.1 secs Computing kpt #: 103 total cpu time spent up to now is 47.5 secs Computing kpt #: 104 total cpu time spent up to now is 47.9 secs Computing kpt #: 105 total cpu time spent up to now is 48.3 secs Computing kpt #: 106 total cpu time spent up to now is 48.7 secs Computing kpt #: 107 total cpu time spent up to now is 49.2 secs Computing kpt #: 108 total cpu time spent up to now is 49.6 secs Computing kpt #: 109 total cpu time spent up to now is 50.0 secs Computing kpt #: 110 total cpu time spent up to now is 50.4 secs Computing kpt #: 111 total cpu time spent up to now is 50.8 secs Computing kpt #: 112 total cpu time spent up to now is 51.2 secs Computing kpt #: 113 total cpu time spent up to now is 51.7 secs Computing kpt #: 114 total cpu time spent up to now is 52.1 secs Computing kpt #: 115 total cpu time spent up to now is 52.5 secs Computing kpt #: 116 total cpu time spent up to now is 52.9 secs Computing kpt #: 117 total cpu time spent up to now is 53.3 secs Computing kpt #: 118 total cpu time spent up to now is 53.8 secs Computing kpt #: 119 total cpu time spent up to now is 54.2 secs Computing kpt #: 120 total cpu time spent up to now is 54.6 secs Computing kpt #: 121 total cpu time spent up to now is 55.0 secs Computing kpt #: 122 total cpu time spent up to now is 55.5 secs Computing kpt #: 123 total cpu time spent up to now is 55.9 secs Computing kpt #: 124 total cpu time spent up to now is 56.4 secs Computing kpt #: 125 total cpu time spent up to now is 56.8 secs Computing kpt #: 126 total cpu time spent up to now is 57.2 secs Computing kpt #: 127 total cpu time spent up to now is 57.7 secs Computing kpt #: 128 total cpu time spent up to now is 58.1 secs Computing kpt #: 129 total cpu time spent up to now is 58.6 secs Computing kpt #: 130 total cpu time spent up to now is 59.1 secs Computing kpt #: 131 total cpu time spent up to now is 59.5 secs Computing kpt #: 132 total cpu time spent up to now is 60.0 secs Computing kpt #: 133 total cpu time spent up to now is 60.4 secs Computing kpt #: 134 total cpu time spent up to now is 60.9 secs Computing kpt #: 135 total cpu time spent up to now is 61.4 secs Computing kpt #: 136 total cpu time spent up to now is 61.8 secs Computing kpt #: 137 total cpu time spent up to now is 62.3 secs Computing kpt #: 138 total cpu time spent up to now is 62.7 secs Computing kpt #: 139 total cpu time spent up to now is 63.2 secs Computing kpt #: 140 total cpu time spent up to now is 64.0 secs Computing kpt #: 141 total cpu time spent up to now is 65.0 secs Computing kpt #: 142 total cpu time spent up to now is 65.9 secs Computing kpt #: 143 total cpu time spent up to now is 66.2 secs Computing kpt #: 144 total cpu time spent up to now is 66.6 secs Computing kpt #: 145 total cpu time spent up to now is 66.9 secs Computing kpt #: 146 total cpu time spent up to now is 67.3 secs Computing kpt #: 147 total cpu time spent up to now is 67.6 secs Computing kpt #: 148 total cpu time spent up to now is 68.0 secs Computing kpt #: 149 total cpu time spent up to now is 68.4 secs Computing kpt #: 150 total cpu time spent up to now is 69.1 secs Computing kpt #: 151 total cpu time spent up to now is 70.3 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 71.5 secs Computing kpt #: 153 total cpu time spent up to now is 72.7 secs Computing kpt #: 154 total cpu time spent up to now is 73.6 secs Computing kpt #: 155 total cpu time spent up to now is 74.2 secs Computing kpt #: 156 total cpu time spent up to now is 74.9 secs Computing kpt #: 157 total cpu time spent up to now is 75.5 secs Computing kpt #: 158 total cpu time spent up to now is 76.2 secs Computing kpt #: 159 total cpu time spent up to now is 76.8 secs Computing kpt #: 160 total cpu time spent up to now is 77.4 secs Computing kpt #: 161 total cpu time spent up to now is 78.1 secs Computing kpt #: 162 total cpu time spent up to now is 78.6 secs Computing kpt #: 163 total cpu time spent up to now is 79.1 secs Computing kpt #: 164 total cpu time spent up to now is 79.6 secs Computing kpt #: 165 total cpu time spent up to now is 80.1 secs Computing kpt #: 166 total cpu time spent up to now is 80.6 secs Computing kpt #: 167 total cpu time spent up to now is 81.1 secs Computing kpt #: 168 total cpu time spent up to now is 81.5 secs Computing kpt #: 169 total cpu time spent up to now is 82.0 secs Computing kpt #: 170 total cpu time spent up to now is 82.5 secs Computing kpt #: 171 total cpu time spent up to now is 83.0 secs Computing kpt #: 172 total cpu time spent up to now is 83.5 secs Computing kpt #: 173 total cpu time spent up to now is 83.9 secs Computing kpt #: 174 total cpu time spent up to now is 84.4 secs Computing kpt #: 175 total cpu time spent up to now is 84.9 secs Computing kpt #: 176 total cpu time spent up to now is 85.4 secs Computing kpt #: 177 total cpu time spent up to now is 86.0 secs Computing kpt #: 178 total cpu time spent up to now is 86.5 secs Computing kpt #: 179 total cpu time spent up to now is 87.0 secs Computing kpt #: 180 total cpu time spent up to now is 87.7 secs Computing kpt #: 181 total cpu time spent up to now is 88.3 secs Computing kpt #: 182 total cpu time spent up to now is 88.9 secs Computing kpt #: 183 total cpu time spent up to now is 89.6 secs Computing kpt #: 184 total cpu time spent up to now is 90.3 secs Computing kpt #: 185 total cpu time spent up to now is 91.2 secs Computing kpt #: 186 total cpu time spent up to now is 91.7 secs Computing kpt #: 187 total cpu time spent up to now is 92.3 secs Computing kpt #: 188 total cpu time spent up to now is 92.9 secs Computing kpt #: 189 total cpu time spent up to now is 93.5 secs Computing kpt #: 190 total cpu time spent up to now is 94.1 secs Computing kpt #: 191 total cpu time spent up to now is 94.6 secs Computing kpt #: 192 total cpu time spent up to now is 95.2 secs Computing kpt #: 193 total cpu time spent up to now is 95.6 secs Computing kpt #: 194 total cpu time spent up to now is 96.1 secs Computing kpt #: 195 total cpu time spent up to now is 96.6 secs Computing kpt #: 196 total cpu time spent up to now is 97.1 secs Computing kpt #: 197 total cpu time spent up to now is 97.5 secs Computing kpt #: 198 total cpu time spent up to now is 98.0 secs Computing kpt #: 199 total cpu time spent up to now is 98.4 secs Computing kpt #: 200 total cpu time spent up to now is 98.9 secs Computing kpt #: 201 total cpu time spent up to now is 99.4 secs Computing kpt #: 202 total cpu time spent up to now is 99.8 secs Computing kpt #: 203 total cpu time spent up to now is 100.3 secs Computing kpt #: 204 total cpu time spent up to now is 100.7 secs Computing kpt #: 205 total cpu time spent up to now is 101.2 secs Computing kpt #: 206 total cpu time spent up to now is 101.6 secs Computing kpt #: 207 total cpu time spent up to now is 102.1 secs Computing kpt #: 208 total cpu time spent up to now is 102.5 secs Computing kpt #: 209 total cpu time spent up to now is 103.0 secs Computing kpt #: 210 total cpu time spent up to now is 103.4 secs Computing kpt #: 211 total cpu time spent up to now is 103.8 secs Computing kpt #: 212 total cpu time spent up to now is 104.3 secs Computing kpt #: 213 total cpu time spent up to now is 104.7 secs Computing kpt #: 214 total cpu time spent up to now is 105.2 secs Computing kpt #: 215 total cpu time spent up to now is 105.6 secs Computing kpt #: 216 total cpu time spent up to now is 106.0 secs Computing kpt #: 217 total cpu time spent up to now is 106.5 secs Computing kpt #: 218 total cpu time spent up to now is 106.9 secs Computing kpt #: 219 total cpu time spent up to now is 107.3 secs Computing kpt #: 220 total cpu time spent up to now is 107.8 secs Computing kpt #: 221 total cpu time spent up to now is 108.2 secs Computing kpt #: 222 total cpu time spent up to now is 108.7 secs Computing kpt #: 223 total cpu time spent up to now is 109.1 secs Computing kpt #: 224 total cpu time spent up to now is 109.6 secs Computing kpt #: 225 total cpu time spent up to now is 110.0 secs Computing kpt #: 226 total cpu time spent up to now is 110.5 secs Computing kpt #: 227 total cpu time spent up to now is 111.0 secs Computing kpt #: 228 total cpu time spent up to now is 111.4 secs Computing kpt #: 229 total cpu time spent up to now is 111.9 secs Computing kpt #: 230 total cpu time spent up to now is 112.3 secs Computing kpt #: 231 total cpu time spent up to now is 112.8 secs Computing kpt #: 232 total cpu time spent up to now is 113.3 secs Computing kpt #: 233 total cpu time spent up to now is 113.7 secs Computing kpt #: 234 total cpu time spent up to now is 114.2 secs Computing kpt #: 235 total cpu time spent up to now is 114.7 secs Computing kpt #: 236 total cpu time spent up to now is 115.1 secs Computing kpt #: 237 total cpu time spent up to now is 115.6 secs Computing kpt #: 238 total cpu time spent up to now is 116.1 secs Computing kpt #: 239 total cpu time spent up to now is 116.6 secs Computing kpt #: 240 total cpu time spent up to now is 117.1 secs Computing kpt #: 241 total cpu time spent up to now is 117.6 secs Computing kpt #: 242 total cpu time spent up to now is 118.2 secs Computing kpt #: 243 total cpu time spent up to now is 118.7 secs Computing kpt #: 244 total cpu time spent up to now is 119.2 secs Computing kpt #: 245 total cpu time spent up to now is 119.7 secs Computing kpt #: 246 total cpu time spent up to now is 120.3 secs Computing kpt #: 247 total cpu time spent up to now is 120.8 secs Computing kpt #: 248 total cpu time spent up to now is 121.2 secs Computing kpt #: 249 total cpu time spent up to now is 121.7 secs Computing kpt #: 250 total cpu time spent up to now is 122.2 secs Computing kpt #: 251 total cpu time spent up to now is 122.8 secs Computing kpt #: 252 total cpu time spent up to now is 123.3 secs Computing kpt #: 253 total cpu time spent up to now is 123.8 secs Computing kpt #: 254 total cpu time spent up to now is 124.4 secs Computing kpt #: 255 total cpu time spent up to now is 124.9 secs Computing kpt #: 256 total cpu time spent up to now is 125.4 secs Computing kpt #: 257 total cpu time spent up to now is 125.9 secs Computing kpt #: 258 total cpu time spent up to now is 126.4 secs Computing kpt #: 259 total cpu time spent up to now is 126.9 secs Computing kpt #: 260 total cpu time spent up to now is 127.3 secs Computing kpt #: 261 total cpu time spent up to now is 127.7 secs Computing kpt #: 262 total cpu time spent up to now is 128.2 secs Computing kpt #: 263 total cpu time spent up to now is 128.6 secs Computing kpt #: 264 total cpu time spent up to now is 128.9 secs Computing kpt #: 265 total cpu time spent up to now is 129.3 secs Computing kpt #: 266 total cpu time spent up to now is 129.7 secs Computing kpt #: 267 total cpu time spent up to now is 130.1 secs Computing kpt #: 268 total cpu time spent up to now is 130.5 secs Computing kpt #: 269 total cpu time spent up to now is 130.8 secs Computing kpt #: 270 total cpu time spent up to now is 131.2 secs Computing kpt #: 271 total cpu time spent up to now is 131.6 secs Computing kpt #: 272 total cpu time spent up to now is 131.9 secs Computing kpt #: 273 total cpu time spent up to now is 132.3 secs Computing kpt #: 274 total cpu time spent up to now is 132.6 secs Computing kpt #: 275 total cpu time spent up to now is 133.0 secs Computing kpt #: 276 total cpu time spent up to now is 133.4 secs Computing kpt #: 277 total cpu time spent up to now is 133.8 secs Computing kpt #: 278 total cpu time spent up to now is 134.3 secs Computing kpt #: 279 total cpu time spent up to now is 134.7 secs Computing kpt #: 280 total cpu time spent up to now is 135.1 secs Computing kpt #: 281 total cpu time spent up to now is 135.5 secs Computing kpt #: 282 total cpu time spent up to now is 135.9 secs Computing kpt #: 283 total cpu time spent up to now is 136.3 secs Computing kpt #: 284 total cpu time spent up to now is 136.7 secs Computing kpt #: 285 total cpu time spent up to now is 137.1 secs Computing kpt #: 286 total cpu time spent up to now is 137.5 secs Computing kpt #: 287 total cpu time spent up to now is 137.9 secs Computing kpt #: 288 total cpu time spent up to now is 138.3 secs Computing kpt #: 289 total cpu time spent up to now is 138.7 secs Computing kpt #: 290 total cpu time spent up to now is 139.1 secs Computing kpt #: 291 total cpu time spent up to now is 139.5 secs Computing kpt #: 292 total cpu time spent up to now is 139.9 secs Computing kpt #: 293 total cpu time spent up to now is 140.3 secs Computing kpt #: 294 total cpu time spent up to now is 140.6 secs Computing kpt #: 295 total cpu time spent up to now is 141.0 secs Computing kpt #: 296 total cpu time spent up to now is 141.4 secs Computing kpt #: 297 total cpu time spent up to now is 141.8 secs Computing kpt #: 298 total cpu time spent up to now is 142.2 secs Computing kpt #: 299 total cpu time spent up to now is 142.6 secs Computing kpt #: 300 total cpu time spent up to now is 143.0 secs Computing kpt #: 301 total cpu time spent up to now is 143.5 secs Computing kpt #: 302 total cpu time spent up to now is 143.9 secs Computing kpt #: 303 total cpu time spent up to now is 144.4 secs Computing kpt #: 304 total cpu time spent up to now is 144.8 secs Computing kpt #: 305 total cpu time spent up to now is 145.3 secs Computing kpt #: 306 total cpu time spent up to now is 145.7 secs Computing kpt #: 307 total cpu time spent up to now is 146.2 secs Computing kpt #: 308 total cpu time spent up to now is 146.7 secs Computing kpt #: 309 total cpu time spent up to now is 147.1 secs Computing kpt #: 310 total cpu time spent up to now is 147.6 secs Computing kpt #: 311 total cpu time spent up to now is 148.0 secs Computing kpt #: 312 total cpu time spent up to now is 148.5 secs Computing kpt #: 313 total cpu time spent up to now is 148.9 secs Computing kpt #: 314 total cpu time spent up to now is 149.4 secs Computing kpt #: 315 total cpu time spent up to now is 149.8 secs Computing kpt #: 316 total cpu time spent up to now is 150.3 secs ethr = 2.08E-08, avg # of iterations = 25.8 total cpu time spent up to now is 150.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2103 PWs) bands (ev): 4.0904 4.0904 4.0904 4.0904 5.3428 5.3428 6.4602 6.4602 6.4602 6.4602 6.5245 6.5245 9.6507 9.6507 15.3977 15.3977 15.3977 15.3977 15.5394 15.5394 16.5228 16.5228 16.5228 16.5228 17.7080 17.7080 17.7080 17.7080 18.3935 18.3935 19.6425 19.6425 19.6425 19.6425 20.2297 20.2297 20.2543 20.2543 20.2543 20.2543 22.1585 22.1585 22.2045 22.2045 22.5941 22.5941 22.9003 22.9003 22.9003 22.9003 24.4190 24.4190 24.4190 24.4190 25.5742 25.5742 29.4086 29.4086 k = 0.0000 0.0122-0.0000 ( 2104 PWs) bands (ev): 4.0905 4.0905 4.0906 4.0906 5.3443 5.3443 6.4603 6.4603 6.4605 6.4605 6.5247 6.5247 9.6522 9.6522 15.3978 15.3978 15.3979 15.3979 15.5394 15.5394 16.5201 16.5201 16.5242 16.5242 17.6998 17.6998 17.7055 17.7055 18.3863 18.3863 19.6392 19.6392 19.6421 19.6421 20.2291 20.2291 20.2544 20.2544 20.2574 20.2574 22.1566 22.1566 22.2141 22.2141 22.5917 22.5917 22.8998 22.8998 22.9005 22.9005 24.4081 24.4081 24.4236 24.4236 25.5935 25.5935 29.4068 29.4068 k = 0.0000 0.0244-0.0000 ( 2104 PWs) bands (ev): 4.0908 4.0908 4.0911 4.0911 5.3490 5.3490 6.4607 6.4607 6.4614 6.4614 6.5251 6.5251 9.6567 9.6567 15.3980 15.3980 15.3984 15.3984 15.5396 15.5396 16.5119 16.5119 16.5283 16.5283 17.6755 17.6755 17.6983 17.6983 18.3652 18.3652 19.6294 19.6294 19.6409 19.6409 20.2272 20.2272 20.2549 20.2549 20.2661 20.2661 22.1543 22.1543 22.2391 22.2391 22.5846 22.5846 22.8984 22.8984 22.9012 22.9012 24.3786 24.3786 24.4375 24.4375 25.6486 25.6486 29.4012 29.4013 k = 0.0000 0.0366-0.0000 ( 2104 PWs) bands (ev): 4.0912 4.0912 4.0920 4.0920 5.3568 5.3568 6.4615 6.4615 6.4630 6.4630 6.5258 6.5258 9.6642 9.6642 15.3983 15.3983 15.3992 15.3992 15.5398 15.5398 16.4980 16.4980 16.5352 16.5352 17.6354 17.6354 17.6863 17.6863 18.3320 18.3320 19.6131 19.6131 19.6388 19.6388 20.2236 20.2236 20.2560 20.2560 20.2789 20.2789 22.1551 22.1551 22.2757 22.2757 22.5728 22.5728 22.8961 22.8961 22.9024 22.9024 24.3370 24.3370 24.4606 24.4606 25.7324 25.7324 29.3920 29.3921 k = 0.0000 0.0488-0.0000 ( 2104 PWs) bands (ev): 4.0918 4.0918 4.0932 4.0932 5.3676 5.3676 6.4625 6.4625 6.4653 6.4653 6.5267 6.5267 9.6747 9.6747 15.3987 15.3987 15.4003 15.4003 15.5402 15.5402 16.4781 16.4781 16.5449 16.5449 17.5805 17.5805 17.6697 17.6697 18.2887 18.2887 19.5906 19.5906 19.6359 19.6359 20.2183 20.2183 20.2578 20.2578 20.2933 20.2933 22.1596 22.1596 22.3227 22.3227 22.5564 22.5564 22.8928 22.8928 22.9042 22.9042 24.2910 24.2910 24.4925 24.4925 25.8372 25.8372 29.3793 29.3793 k = 0.0000 0.0610-0.0000 ( 2104 PWs) bands (ev): 4.0926 4.0926 4.0948 4.0948 5.3815 5.3815 6.4637 6.4637 6.4681 6.4681 6.5280 6.5280 9.6881 9.6881 15.3992 15.3992 15.4018 15.4018 15.5407 15.5407 16.4516 16.4516 16.5572 16.5572 17.5119 17.5119 17.6487 17.6487 18.2377 18.2377 19.5621 19.5621 19.6323 19.6323 20.2111 20.2111 20.2604 20.2604 20.3071 20.3071 22.1675 22.1675 22.3794 22.3794 22.5354 22.5354 22.8887 22.8887 22.9066 22.9066 24.2470 24.2470 24.5332 24.5332 25.9561 25.9561 29.3630 29.3630 k = 0.0000 0.0732-0.0000 ( 2108 PWs) bands (ev): 4.0936 4.0936 4.0967 4.0967 5.3985 5.3985 6.4653 6.4653 6.4715 6.4715 6.5294 6.5294 9.7044 9.7044 15.3997 15.3997 15.4035 15.4035 15.5413 15.5413 16.4178 16.4178 16.5723 16.5723 17.4316 17.4316 17.6236 17.6236 18.1810 18.1810 19.5277 19.5277 19.6279 19.6279 20.2022 20.2022 20.2637 20.2637 20.3179 20.3179 22.1785 22.1785 22.4451 22.4451 22.5100 22.5100 22.8838 22.8838 22.9096 22.9096 24.2094 24.2094 24.5822 24.5822 26.0838 26.0838 29.3434 29.3434 k = 0.0000 0.0854-0.0000 ( 2112 PWs) bands (ev): 4.0947 4.0947 4.0989 4.0989 5.4184 5.4184 6.4671 6.4671 6.4755 6.4755 6.5312 6.5312 9.7237 9.7237 15.4001 15.4001 15.4056 15.4056 15.5420 15.5420 16.3760 16.3760 16.5901 16.5901 17.3421 17.3421 17.5945 17.5945 18.1200 18.1200 19.4879 19.4879 19.6228 19.6228 20.1916 20.1916 20.2675 20.2675 20.3239 20.3239 22.1921 22.1921 22.4802 22.4802 22.5189 22.5189 22.8784 22.8784 22.9133 22.9133 24.1814 24.1814 24.6392 24.6392 26.2162 26.2162 29.3206 29.3206 k = 0.0000 0.0976-0.0000 ( 2112 PWs) bands (ev): 4.0959 4.0959 4.1014 4.1014 5.4413 5.4413 6.4691 6.4691 6.4801 6.4801 6.5331 6.5331 9.7458 9.7458 15.4003 15.4003 15.4080 15.4080 15.5429 15.5429 16.3251 16.3251 16.6105 16.6105 17.2460 17.2460 17.5619 17.5619 18.0559 18.0559 19.4429 19.4429 19.6170 19.6170 20.1795 20.1795 20.2717 20.2717 20.3239 20.3239 22.2078 22.2078 22.4462 22.4462 22.5994 22.5994 22.8733 22.8733 22.9178 22.9178 24.1647 24.1647 24.7038 24.7038 26.3501 26.3501 29.2949 29.2949 k = 0.0000 0.1098-0.0000 ( 2120 PWs) bands (ev): 4.0973 4.0973 4.1042 4.1042 5.4671 5.4671 6.4714 6.4714 6.4852 6.4852 6.5354 6.5354 9.7708 9.7708 15.4001 15.4001 15.4108 15.4108 15.5439 15.5439 16.2643 16.2643 16.6334 16.6334 17.1462 17.1462 17.5260 17.5260 17.9894 17.9894 19.3931 19.3931 19.6107 19.6107 20.1659 20.1659 20.2762 20.2762 20.3175 20.3175 22.2255 22.2255 22.4080 22.4080 22.6844 22.6844 22.8696 22.8696 22.9231 22.9231 24.1599 24.1599 24.7756 24.7756 26.4830 26.4830 29.2663 29.2663 k = 0.0000 0.1220-0.0000 ( 2128 PWs) bands (ev): 4.0988 4.0988 4.1072 4.1072 5.4957 5.4957 6.4739 6.4739 6.4907 6.4907 6.5378 6.5378 9.7985 9.7985 15.3992 15.3992 15.4138 15.4138 15.5451 15.5451 16.1930 16.1930 16.6589 16.6589 17.0452 17.0452 17.4872 17.4872 17.9210 17.9210 19.3390 19.3390 19.6037 19.6037 20.1510 20.1510 20.2807 20.2807 20.3047 20.3047 22.2446 22.2446 22.3658 22.3658 22.7683 22.7683 22.8723 22.8723 22.9293 22.9293 24.1673 24.1673 24.8543 24.8543 26.6131 26.6131 29.2352 29.2352 k = 0.0000 0.1341-0.0000 ( 2120 PWs) bands (ev): 4.1005 4.1005 4.1106 4.1106 5.5271 5.5271 6.4766 6.4766 6.4968 6.4968 6.5404 6.5404 9.8290 9.8290 15.3970 15.3970 15.4171 15.4171 15.5465 15.5465 16.1111 16.1111 16.6868 16.6868 16.9453 16.9453 17.4460 17.4460 17.8511 17.8511 19.2809 19.2809 19.5962 19.5962 20.1349 20.1349 20.2853 20.2853 20.2858 20.2858 22.2648 22.2648 22.3196 22.3196 22.8235 22.8235 22.9078 22.9078 22.9363 22.9363 24.1864 24.1864 24.9394 24.9394 26.7390 26.7390 29.2018 29.2018 k = 0.0000 0.1463-0.0000 ( 2124 PWs) bands (ev): 4.1023 4.1023 4.1141 4.1141 5.5611 5.5611 6.4795 6.4795 6.5033 6.5033 6.5433 6.5433 9.8621 9.8621 15.3927 15.3927 15.4208 15.4208 15.5481 15.5481 16.0195 16.0195 16.7169 16.7169 16.8476 16.8476 17.4027 17.4027 17.7799 17.7799 19.2195 19.2195 19.5883 19.5883 20.1178 20.1178 20.2618 20.2618 20.2897 20.2897 22.2697 22.2697 22.2859 22.2859 22.8345 22.8345 22.9443 22.9443 22.9908 22.9908 24.2166 24.2166 25.0305 25.0305 26.8597 26.8597 29.1664 29.1664 k = 0.0000 0.1585-0.0000 ( 2128 PWs) bands (ev): 4.1041 4.1041 4.1179 4.1179 5.5978 5.5978 6.4826 6.4826 6.5102 6.5102 6.5463 6.5463 9.8977 9.8977 15.3844 15.3844 15.4247 15.4247 15.5498 15.5498 15.9208 15.9208 16.7490 16.7490 16.7526 16.7526 17.3579 17.3579 17.7078 17.7078 19.1555 19.1555 19.5800 19.5800 20.0996 20.0996 20.2335 20.2335 20.2938 20.2938 22.2162 22.2162 22.3074 22.3074 22.8354 22.8354 22.9532 22.9532 23.0857 23.0857 24.2572 24.2572 25.1273 25.1273 26.9746 26.9746 29.1292 29.1292 k = 0.0000 0.1707-0.0000 ( 2128 PWs) bands (ev): 4.1061 4.1061 4.1218 4.1218 5.6369 5.6369 6.4858 6.4858 6.5174 6.5174 6.5495 6.5495 9.9359 9.9359 15.3687 15.3687 15.4289 15.4289 15.5518 15.5518 15.8198 15.8198 16.6600 16.6600 16.7828 16.7828 17.3122 17.3122 17.6351 17.6351 19.0894 19.0894 19.5713 19.5713 20.0806 20.0806 20.2020 20.2020 20.2975 20.2975 22.1591 22.1591 22.3292 22.3292 22.8352 22.8352 22.9630 22.9630 23.1822 23.1822 24.3075 24.3075 25.2293 25.2293 27.0835 27.0835 29.0907 29.0907 k = 0.0000 0.1829-0.0000 ( 2120 PWs) bands (ev): 4.1082 4.1082 4.1260 4.1260 5.6785 5.6785 6.4892 6.4892 6.5249 6.5249 6.5528 6.5528 9.9763 9.9763 15.3393 15.3393 15.4334 15.4334 15.5541 15.5541 15.7246 15.7246 16.5689 16.5689 16.8178 16.8178 17.2664 17.2664 17.5620 17.5620 19.0222 19.0222 19.5624 19.5624 20.0608 20.0608 20.1681 20.1681 20.3008 20.3008 22.0987 22.0987 22.3509 22.3509 22.8358 22.8358 22.9736 22.9736 23.2772 23.2772 24.3670 24.3670 25.3362 25.3362 27.1863 27.1863 29.0511 29.0511 k = 0.0000 0.1951-0.0000 ( 2120 PWs) bands (ev): 4.1103 4.1103 4.1302 4.1302 5.7223 5.7223 6.4926 6.4926 6.5328 6.5328 6.5563 6.5563 10.0190 10.0190 15.2864 15.2864 15.4382 15.4382 15.5566 15.5566 15.6468 15.6468 16.4782 16.4782 16.8527 16.8527 17.2219 17.2219 17.4888 17.4888 18.9546 18.9546 19.5534 19.5534 20.0404 20.0404 20.1328 20.1328 20.3036 20.3036 22.0352 22.0352 22.3724 22.3724 22.8373 22.8373 22.9851 22.9851 23.3688 23.3688 24.4354 24.4354 25.4475 25.4475 27.2832 27.2832 29.0107 29.0107 k = 0.0000 0.2073-0.0000 ( 2120 PWs) bands (ev): 4.1125 4.1125 4.1346 4.1346 5.7683 5.7683 6.4962 6.4962 6.5408 6.5408 6.5599 6.5599 10.0638 10.0638 15.2038 15.2038 15.4432 15.4432 15.5594 15.5594 15.5948 15.5948 16.3870 16.3870 16.8853 16.8853 17.1812 17.1812 17.4156 17.4156 18.8874 18.8874 19.5442 19.5442 20.0194 20.0194 20.0967 20.0967 20.3057 20.3057 21.9688 21.9688 22.3933 22.3933 22.8402 22.8402 22.9973 22.9973 23.4555 23.4555 24.5122 24.5122 25.5629 25.5629 27.3745 27.3745 28.9698 28.9698 k = 0.0000 0.2195-0.0000 ( 2120 PWs) bands (ev): 4.1147 4.1147 4.1391 4.1391 5.8162 5.8162 6.4998 6.4998 6.5491 6.5491 6.5636 6.5636 10.1105 10.1105 15.0960 15.0960 15.4484 15.4484 15.5625 15.5625 15.5654 15.5654 16.2943 16.2943 16.9107 16.9107 17.1493 17.1493 17.3428 17.3428 18.8214 18.8214 19.5350 19.5350 19.9981 19.9981 20.0605 20.0605 20.3071 20.3071 21.8997 21.8997 22.4136 22.4136 22.8442 22.8442 23.0102 23.0102 23.5363 23.5363 24.5973 24.5973 25.6821 25.6821 27.4606 27.4606 28.9288 28.9288 k = 0.0000 0.2317-0.0000 ( 2132 PWs) bands (ev): 4.1170 4.1170 4.1437 4.1437 5.8658 5.8658 6.5035 6.5035 6.5574 6.5574 6.5673 6.5673 10.1588 10.1588 14.9730 14.9730 15.4538 15.4538 15.5502 15.5502 15.5659 15.5659 16.1998 16.1998 16.9202 16.9202 17.1352 17.1352 17.2704 17.2704 18.7572 18.7572 19.5259 19.5259 19.9765 19.9765 20.0247 20.0247 20.3076 20.3076 21.8282 21.8282 22.4331 22.4331 22.8495 22.8495 23.0238 23.0238 23.6101 23.6101 24.6901 24.6901 25.8045 25.8045 27.5418 27.5418 28.8880 28.8880 k = 0.0000 0.2439-0.0000 ( 2120 PWs) bands (ev): 4.1192 4.1192 4.1483 4.1483 5.9171 5.9171 6.5072 6.5072 6.5659 6.5659 6.5711 6.5711 10.2087 10.2087 14.8425 14.8425 15.4594 15.4594 15.5425 15.5425 15.5698 15.5698 16.1035 16.1035 16.9071 16.9071 17.1456 17.1456 17.1987 17.1987 18.6956 18.6956 19.5170 19.5170 19.9548 19.9548 19.9895 19.9895 20.3072 20.3072 21.7547 21.7547 22.4516 22.4516 22.8560 22.8560 23.0379 23.0379 23.6767 23.6767 24.7901 24.7901 25.9300 25.9300 27.6185 27.6185 28.8476 28.8476 k = 0.0000 0.2561-0.0000 ( 2120 PWs) bands (ev): 4.1215 4.1215 4.1529 4.1529 5.9698 5.9698 6.5109 6.5109 6.5744 6.5744 6.5750 6.5750 10.2597 10.2597 14.7093 14.7093 15.4651 15.4651 15.5380 15.5380 15.5741 15.5741 16.0060 16.0060 16.8759 16.8759 17.1278 17.1278 17.1763 17.1763 18.6368 18.6368 19.5083 19.5083 19.9330 19.9330 19.9552 19.9552 20.3058 20.3058 21.6794 21.6794 22.4689 22.4689 22.8635 22.8635 23.0525 23.0525 23.7357 23.7357 24.8967 24.8967 26.0580 26.0580 27.6911 27.6911 28.8080 28.8080 k = 0.0000 0.2683-0.0000 ( 2124 PWs) bands (ev): 4.1238 4.1238 4.1575 4.1575 6.0236 6.0236 6.5146 6.5146 6.5788 6.5788 6.5828 6.5828 10.3116 10.3116 14.5764 14.5764 15.4709 15.4709 15.5328 15.5328 15.5790 15.5790 15.9092 15.9092 16.8350 16.8350 17.0578 17.0578 17.2187 17.2187 18.5814 18.5814 19.4999 19.4999 19.9112 19.9112 19.9222 19.9222 20.3032 20.3032 21.6027 21.6027 22.4851 22.4851 22.8721 22.8721 23.0674 23.0674 23.7874 23.7874 25.0088 25.0088 26.1881 26.1881 27.7597 27.7597 28.7694 28.7694 k = 0.0000 0.2805-0.0000 ( 2132 PWs) bands (ev): 4.1261 4.1261 4.1621 4.1621 6.0783 6.0783 6.5182 6.5182 6.5826 6.5826 6.5913 6.5913 10.3642 10.3642 14.4458 14.4458 15.4767 15.4767 15.5218 15.5218 15.5843 15.5843 15.8175 15.8175 16.7898 16.7898 16.9890 16.9890 17.2676 17.2676 18.5295 18.5295 19.4920 19.4920 19.8896 19.8896 19.8905 19.8905 20.2994 20.2994 21.5252 21.5252 22.5000 22.5000 22.8814 22.8814 23.0825 23.0825 23.8322 23.8322 25.1255 25.1255 26.3200 26.3200 27.8247 27.8247 28.7320 28.7320 k = 0.0000 0.2927-0.0000 ( 2124 PWs) bands (ev): 4.1283 4.1283 4.1666 4.1666 6.1337 6.1337 6.5218 6.5218 6.5864 6.5864 6.5996 6.5996 10.4169 10.4169 14.3193 14.3193 15.4825 15.4825 15.4946 15.4946 15.5903 15.5903 15.7411 15.7411 16.7426 16.7426 16.9214 16.9214 17.3206 17.3206 18.4814 18.4814 19.4846 19.4846 19.8602 19.8602 19.8683 19.8683 20.2941 20.2941 21.4472 21.4472 22.5136 22.5136 22.8915 22.8915 23.0977 23.0977 23.8707 23.8707 25.2457 25.2457 26.4532 26.4532 27.8862 27.8862 28.6961 28.6961 k = 0.0000 0.3049-0.0000 ( 2124 PWs) bands (ev): 4.1305 4.1305 4.1710 4.1710 6.1894 6.1894 6.5253 6.5253 6.5901 6.5901 6.6078 6.6078 10.4693 10.4693 14.1981 14.1981 15.4380 15.4380 15.4881 15.4881 15.5969 15.5969 15.6932 15.6932 16.6949 16.6949 16.8551 16.8551 17.3764 17.3764 18.4369 18.4369 19.4779 19.4779 19.8314 19.8314 19.8474 19.8474 20.2871 20.2871 21.3695 21.3695 22.5260 22.5260 22.9020 22.9020 23.1129 23.1129 23.9033 23.9033 25.3684 25.3684 26.5872 26.5872 27.9442 27.9442 28.6619 28.6619 k = 0.0000 0.3171-0.0000 ( 2132 PWs) bands (ev): 4.1326 4.1326 4.1753 4.1753 6.2450 6.2450 6.5287 6.5287 6.5938 6.5938 6.6157 6.6157 10.5210 10.5210 14.0836 14.0836 15.3522 15.3522 15.4936 15.4936 15.6042 15.6042 15.6739 15.6739 16.6474 16.6474 16.7903 16.7903 17.4339 17.4339 18.3962 18.3962 19.4719 19.4719 19.8043 19.8043 19.8269 19.8269 20.2781 20.2781 21.2926 21.2926 22.5371 22.5371 22.9130 22.9130 23.1280 23.1280 23.9309 23.9309 25.4924 25.4924 26.7214 26.7214 27.9988 27.9988 28.6297 28.6297 k = 0.0000 0.3293-0.0000 ( 2132 PWs) bands (ev): 4.1346 4.1346 4.1795 4.1795 6.3002 6.3002 6.5320 6.5320 6.5973 6.5973 6.6235 6.6235 10.5715 10.5715 13.9769 13.9769 15.2492 15.2492 15.4989 15.4989 15.6122 15.6122 15.6717 15.6717 16.6005 16.6005 16.7271 16.7271 17.4928 17.4928 18.3590 18.3590 19.4668 19.4668 19.7787 19.7787 19.8070 19.8070 20.2669 20.2669 21.2174 21.2174 22.5471 22.5471 22.9241 22.9241 23.1428 23.1428 23.9539 23.9539 25.6166 25.6166 26.8553 26.8553 28.0501 28.0501 28.5996 28.5996 k = 0.0000 0.3415-0.0000 ( 2124 PWs) bands (ev): 4.1366 4.1366 4.1835 4.1835 6.3546 6.3546 6.5351 6.5351 6.6007 6.6007 6.6309 6.6309 10.6201 10.6201 13.8791 13.8791 15.1379 15.1379 15.5039 15.5039 15.6210 15.6210 15.6781 15.6781 16.5546 16.5546 16.6655 16.6655 17.5524 17.5524 18.3254 18.3254 19.4628 19.4628 19.7549 19.7549 19.7877 19.7877 20.2532 20.2532 21.1445 21.1445 22.5560 22.5560 22.9352 22.9352 23.1572 23.1572 23.9730 23.9730 25.7401 25.7401 26.9881 26.9881 28.0982 28.0982 28.5720 28.5720 k = 0.0000 0.3537-0.0000 ( 2124 PWs) bands (ev): 4.1385 4.1385 4.1873 4.1873 6.4078 6.4078 6.5381 6.5381 6.6039 6.6039 6.6381 6.6381 10.6664 10.6664 13.7912 13.7912 15.0226 15.0226 15.5086 15.5086 15.6305 15.6305 15.6894 15.6894 16.5101 16.5101 16.6057 16.6057 17.6121 17.6121 18.2950 18.2950 19.4599 19.4599 19.7327 19.7327 19.7690 19.7690 20.2365 20.2365 21.0749 21.0749 22.5638 22.5638 22.9461 22.9461 23.1711 23.1711 23.9888 23.9888 25.8618 25.8618 27.1191 27.1191 28.1430 28.1430 28.5470 28.5470 k = 0.0000 0.3659-0.0000 ( 2128 PWs) bands (ev): 4.1402 4.1402 4.1908 4.1908 6.4592 6.4592 6.5409 6.5409 6.6070 6.6070 6.6450 6.6450 10.7097 10.7097 13.7143 13.7143 14.9056 14.9056 15.5129 15.5129 15.6407 15.6407 15.7039 15.7039 16.4672 16.4672 16.5477 16.5477 17.6716 17.6716 18.2678 18.2678 19.4583 19.4583 19.7123 19.7123 19.7511 19.7511 20.2166 20.2166 21.0096 21.0096 22.5707 22.5707 22.9566 22.9566 23.1845 23.1845 24.0016 24.0016 25.9804 25.9804 27.2474 27.2474 28.1844 28.1844 28.5249 28.5249 k = 0.0000 0.3780-0.0000 ( 2128 PWs) bands (ev): 4.1419 4.1419 4.1942 4.1942 6.5083 6.5083 6.5436 6.5436 6.6099 6.6099 6.6516 6.6516 10.7495 10.7495 13.6493 13.6493 14.7883 14.7883 15.5168 15.5168 15.6515 15.6515 15.7208 15.7208 16.4261 16.4261 16.4916 16.4916 17.7301 17.7301 18.2436 18.2436 19.4583 19.4583 19.6936 19.6936 19.7339 19.7339 20.1931 20.1931 20.9495 20.9495 22.5768 22.5768 22.9666 22.9666 23.1971 23.1971 24.0120 24.0120 26.0950 26.0950 27.3716 27.3716 28.2226 28.2226 28.5061 28.5061 k = 0.0000 0.3902-0.0000 ( 2136 PWs) bands (ev): 4.1434 4.1434 4.1973 4.1973 6.5460 6.5460 6.5545 6.5545 6.6126 6.6126 6.6580 6.6580 10.7854 10.7854 13.5969 13.5969 14.6719 14.6719 15.5204 15.5204 15.6628 15.6628 15.7397 15.7397 16.3870 16.3870 16.4375 16.4375 17.7870 17.7870 18.2223 18.2223 19.4600 19.4600 19.6767 19.6767 19.7174 19.7174 20.1660 20.1660 20.8952 20.8952 22.5820 22.5820 22.9760 22.9760 23.2088 23.2088 24.0203 24.0203 26.2044 26.2044 27.4906 27.4906 28.2574 28.2574 28.4910 28.4910 k = 0.0000 0.4024-0.0000 ( 2136 PWs) bands (ev): 4.1447 4.1447 4.2001 4.2001 6.5482 6.5482 6.5969 6.5969 6.6150 6.6150 6.6648 6.6648 10.8170 10.8170 13.5577 13.5577 14.5573 14.5573 15.5236 15.5236 15.6744 15.6744 15.7603 15.7603 16.3503 16.3503 16.3856 16.3856 17.8416 17.8416 18.2036 18.2036 19.4635 19.4635 19.6615 19.6615 19.7016 19.7016 20.1357 20.1357 20.8475 20.8475 22.5865 22.5865 22.9847 22.9847 23.2196 23.2196 24.0270 24.0270 26.3073 26.3073 27.6027 27.6027 28.2889 28.2889 28.4801 28.4801 k = 0.0000 0.4146-0.0000 ( 2132 PWs) bands (ev): 4.1460 4.1460 4.2026 4.2026 6.5502 6.5502 6.6172 6.6172 6.6330 6.6330 6.6736 6.6736 10.8440 10.8440 13.5320 13.5320 14.4455 14.4455 15.5264 15.5264 15.6862 15.6862 15.7824 15.7824 16.3163 16.3163 16.3359 16.3359 17.8930 17.8930 18.1874 18.1874 19.4691 19.4691 19.6481 19.6481 19.6863 19.6863 20.1027 20.1027 20.8066 20.8066 22.5904 22.5904 22.9925 22.9925 23.2294 23.2294 24.0322 24.0322 26.4025 26.4025 27.7057 27.7057 28.3169 28.3169 28.4739 28.4739 k = 0.0000 0.4268-0.0000 ( 2124 PWs) bands (ev): 4.1471 4.1471 4.2048 4.2048 6.5519 6.5519 6.6191 6.6191 6.6564 6.6564 6.6905 6.6905 10.8666 10.8666 13.5197 13.5197 14.3375 14.3375 15.5288 15.5288 15.6977 15.6977 15.8058 15.8058 16.2854 16.2854 16.2887 16.2887 17.9404 17.9404 18.1737 18.1737 19.4769 19.4769 19.6364 19.6364 19.6714 19.6714 20.0683 20.0683 20.7724 20.7724 22.5936 22.5936 22.9994 22.9994 23.2380 23.2380 24.0362 24.0362 26.4886 26.4886 27.7977 27.7977 28.3415 28.3415 28.4729 28.4729 k = 0.0000 0.4390-0.0000 ( 2124 PWs) bands (ev): 4.1480 4.1480 4.2067 4.2067 6.5534 6.5534 6.6208 6.6208 6.6664 6.6664 6.7156 6.7156 10.8848 10.8848 13.5203 13.5203 14.2345 14.2345 15.5309 15.5309 15.7087 15.7087 15.8301 15.8301 16.2441 16.2441 16.2578 16.2578 17.9829 17.9829 18.1622 18.1622 19.4870 19.4870 19.6266 19.6266 19.6566 19.6566 20.0340 20.0340 20.7447 20.7447 22.5963 22.5963 23.0053 23.0053 23.2455 23.2455 24.0393 24.0393 26.5643 26.5643 27.8763 27.8763 28.3625 28.3625 28.4774 28.4774 k = 0.0000 0.4512-0.0000 ( 2116 PWs) bands (ev): 4.1488 4.1488 4.2083 4.2083 6.5546 6.5546 6.6221 6.6221 6.6714 6.6714 6.7400 6.7400 10.8988 10.8988 13.5328 13.5328 14.1380 14.1380 15.5326 15.5326 15.7188 15.7188 15.8548 15.8548 16.2028 16.2028 16.2342 16.2342 18.0193 18.0193 18.1530 18.1530 19.4994 19.4994 19.6185 19.6185 19.6416 19.6416 20.0018 20.0018 20.7231 20.7231 22.5984 22.5984 23.0102 23.0102 23.2517 23.2517 24.0416 24.0416 26.6284 26.6284 27.9399 27.9399 28.3800 28.3800 28.4867 28.4867 k = 0.0000 0.4634-0.0000 ( 2108 PWs) bands (ev): 4.1494 4.1494 4.2096 4.2096 6.5556 6.5556 6.6232 6.6232 6.6746 6.6746 6.7601 6.7601 10.9092 10.9092 13.5551 13.5551 14.0502 14.0502 15.5339 15.5339 15.7274 15.7274 15.8792 15.8792 16.1655 16.1655 16.2150 16.2150 18.0489 18.0489 18.1459 18.1459 19.5138 19.5138 19.6123 19.6123 19.6261 19.6261 19.9738 19.9738 20.7069 20.7069 22.6000 22.6000 23.0140 23.0140 23.2566 23.2566 24.0433 24.0433 26.6797 26.6797 27.9878 27.9878 28.3937 28.3937 28.4993 28.4993 k = 0.0000 0.4756-0.0000 ( 2104 PWs) bands (ev): 4.1498 4.1498 4.2104 4.2104 6.5563 6.5563 6.6240 6.6240 6.6767 6.6767 6.7750 6.7750 10.9162 10.9162 13.5836 13.5836 13.9750 13.9750 15.5348 15.5348 15.7341 15.7341 15.9015 15.9015 16.1341 16.1341 16.2007 16.2007 18.0707 18.0707 18.1408 18.1408 19.5297 19.5297 19.6078 19.6078 19.6101 19.6101 19.9519 19.9519 20.6957 20.6957 22.6012 22.6012 23.0168 23.0168 23.2601 23.2601 24.0444 24.0444 26.7172 26.7172 28.0203 28.0203 28.4035 28.4035 28.5121 28.5121 k = 0.0000 0.4878-0.0000 ( 2104 PWs) bands (ev): 4.1501 4.1501 4.2110 4.2110 6.5567 6.5567 6.6245 6.6245 6.6779 6.6779 6.7840 6.7840 10.9203 10.9203 13.6105 13.6105 13.9201 13.9201 15.5353 15.5353 15.7383 15.7383 15.9183 15.9183 16.1118 16.1118 16.1920 16.1920 18.0841 18.0841 18.1378 18.1378 19.5454 19.5454 19.5946 19.5946 19.6051 19.6051 19.9381 19.9381 20.6892 20.6892 22.6019 22.6019 23.0184 23.0184 23.2622 23.2622 24.0450 24.0450 26.7400 26.7400 28.0390 28.0390 28.4095 28.4095 28.5217 28.5217 k = 0.0000 0.5000-0.0000 ( 2104 PWs) bands (ev): 4.1502 4.1502 4.2112 4.2112 6.5568 6.5568 6.6246 6.6246 6.6783 6.6783 6.7871 6.7871 10.9216 10.9216 13.6225 13.6225 13.8988 13.8988 15.5355 15.5355 15.7397 15.7397 15.9248 15.9248 16.1034 16.1034 16.1890 16.1890 18.0886 18.0886 18.1368 18.1368 19.5542 19.5542 19.5859 19.5859 19.6042 19.6042 19.9333 19.9333 20.6870 20.6870 22.6021 22.6021 23.0190 23.0190 23.2629 23.2629 24.0452 24.0452 26.7477 26.7477 28.0451 28.0451 28.4115 28.4115 28.5252 28.5252 k = 0.0000 0.5000-0.0000 ( 2104 PWs) bands (ev): 4.1502 4.1502 4.2112 4.2112 6.5568 6.5568 6.6246 6.6246 6.6783 6.6783 6.7871 6.7871 10.9216 10.9216 13.6225 13.6225 13.8988 13.8988 15.5355 15.5355 15.7397 15.7397 15.9248 15.9248 16.1034 16.1034 16.1890 16.1890 18.0886 18.0886 18.1368 18.1368 19.5542 19.5542 19.5859 19.5859 19.6042 19.6042 19.9333 19.9333 20.6870 20.6870 22.6021 22.6021 23.0190 23.0190 23.2629 23.2629 24.0452 24.0452 26.7477 26.7477 28.0451 28.0451 28.4115 28.4115 28.5252 28.5252 k = 0.0122 0.5000-0.0000 ( 2104 PWs) bands (ev): 4.1502 4.1502 4.2111 4.2111 6.5570 6.5570 6.6241 6.6241 6.6781 6.6781 6.7895 6.7895 10.9224 10.9224 13.6202 13.6202 13.9001 13.9001 15.5235 15.5235 15.7472 15.7472 15.9247 15.9247 16.1040 16.1040 16.1898 16.1898 18.0835 18.0835 18.1408 18.1408 19.5326 19.5326 19.5737 19.5737 19.6385 19.6385 19.9328 19.9328 20.6877 20.6877 22.5898 22.5898 23.0246 23.0246 23.2693 23.2693 24.0426 24.0426 26.7500 26.7500 28.0446 28.0446 28.4146 28.4146 28.5231 28.5231 k = 0.0244 0.5000-0.0000 ( 2104 PWs) bands (ev): 4.1505 4.1505 4.2111 4.2111 6.5575 6.5575 6.6224 6.6224 6.6775 6.6775 6.7966 6.7966 10.9248 10.9248 13.6133 13.6133 13.9042 13.9042 15.4929 15.4929 15.7612 15.7612 15.9274 15.9274 16.1059 16.1059 16.1921 16.1921 18.0710 18.0710 18.1497 18.1497 19.4875 19.4875 19.5767 19.5767 19.6820 19.6820 19.9313 19.9313 20.6897 20.6897 22.5559 22.5559 23.0387 23.0387 23.2886 23.2886 24.0346 24.0346 26.7568 26.7568 28.0431 28.0431 28.4229 28.4229 28.5178 28.5178 k = 0.0366 0.5000-0.0000 ( 2114 PWs) bands (ev): 4.1508 4.1508 4.2110 4.2110 6.5584 6.5584 6.6199 6.6199 6.6769 6.6769 6.8080 6.8080 10.9288 10.9288 13.6021 13.6021 13.9109 13.9109 15.4522 15.4522 15.7660 15.7660 15.9405 15.9405 16.1086 16.1086 16.1962 16.1962 18.0547 18.0547 18.1599 18.1599 19.4383 19.4383 19.5849 19.5849 19.7245 19.7245 19.9296 19.9296 20.6931 20.6931 22.5060 22.5060 23.0557 23.0557 23.3201 23.3201 24.0216 24.0216 26.7680 26.7680 28.0405 28.0405 28.4327 28.4327 28.5133 28.5133 k = 0.0488 0.5000-0.0000 ( 2118 PWs) bands (ev): 4.1513 4.1513 4.2109 4.2109 6.5596 6.5596 6.6166 6.6166 6.6764 6.6764 6.8232 6.8232 10.9345 10.9345 13.5865 13.5865 13.9202 13.9202 15.4068 15.4068 15.7521 15.7521 15.9686 15.9686 16.1118 16.1118 16.2020 16.2020 18.0360 18.0360 18.1699 18.1699 19.3876 19.3876 19.5956 19.5956 19.7651 19.7651 19.9290 19.9290 20.6980 20.6980 22.4457 22.4457 23.0717 23.0717 23.3620 23.3620 24.0037 24.0037 26.7834 26.7834 28.0364 28.0364 28.4347 28.4347 28.5194 28.5194 k = 0.0610 0.5000-0.0000 ( 2114 PWs) bands (ev): 4.1520 4.1520 4.2107 4.2107 6.5611 6.5611 6.6127 6.6127 6.6763 6.6763 6.8419 6.8419 10.9417 10.9417 13.5669 13.5669 13.9317 13.9317 15.3590 15.3590 15.7212 15.7212 16.0077 16.0077 16.1156 16.1156 16.2099 16.2099 18.0155 18.0155 18.1792 18.1792 19.3359 19.3359 19.6073 19.6073 19.8032 19.8032 19.9314 19.9314 20.7045 20.7045 22.3786 22.3786 23.0850 23.0850 23.4119 23.4119 23.9814 23.9814 26.8027 26.8027 28.0306 28.0306 28.4224 28.4224 28.5431 28.5431 k = 0.0732 0.5000-0.0000 ( 2122 PWs) bands (ev): 4.1528 4.1528 4.2105 4.2105 6.5630 6.5630 6.6086 6.6086 6.6765 6.6765 6.8638 6.8638 10.9505 10.9505 13.5435 13.5435 13.9454 13.9454 15.3100 15.3100 15.6779 15.6779 16.0509 16.0509 16.1208 16.1208 16.2203 16.2203 17.9935 17.9935 18.1873 18.1873 19.2835 19.2835 19.6182 19.6182 19.8382 19.8382 19.9388 19.9388 20.7127 20.7127 22.3069 22.3069 23.0955 23.0955 23.4672 23.4672 23.9552 23.9552 26.8254 26.8254 28.0224 28.0224 28.4011 28.4011 28.5801 28.5801 k = 0.0854 0.5000-0.0000 ( 2122 PWs) bands (ev): 4.1537 4.1537 4.2103 4.2103 6.5651 6.5651 6.6044 6.6044 6.6771 6.6771 6.8886 6.8886 10.9610 10.9610 13.5165 13.5165 13.9608 13.9608 15.2604 15.2604 15.6254 15.6254 16.0882 16.0882 16.1334 16.1334 16.2339 16.2339 17.9703 17.9703 18.1939 18.1939 19.2305 19.2305 19.6264 19.6264 19.8704 19.8704 19.9534 19.9534 20.7224 20.7224 22.2322 22.2322 23.1032 23.1032 23.5256 23.5256 23.9256 23.9256 26.8512 26.8512 28.0111 28.0111 28.3764 28.3764 28.6256 28.6256 k = 0.0976 0.5000-0.0000 ( 2126 PWs) bands (ev): 4.1547 4.1547 4.2100 4.2100 6.5675 6.5675 6.6001 6.6001 6.6780 6.6780 6.9163 6.9163 10.9730 10.9730 13.4863 13.4863 13.9776 13.9776 15.2104 15.2104 15.5660 15.5660 16.1048 16.1048 16.1633 16.1633 16.2535 16.2535 17.9459 17.9459 18.1988 18.1988 19.1772 19.1772 19.6306 19.6306 19.9014 19.9014 19.9748 19.9748 20.7336 20.7336 22.1555 22.1555 23.1081 23.1081 23.5855 23.5855 23.8935 23.8935 26.8794 26.8794 27.9955 27.9955 28.3524 28.3524 28.6769 28.6769 k = 0.1098 0.5000-0.0000 ( 2138 PWs) bands (ev): 4.1559 4.1559 4.2097 4.2097 6.5702 6.5702 6.5960 6.5960 6.6792 6.6792 6.9467 6.9467 10.9867 10.9867 13.4532 13.4532 13.9950 13.9950 15.1603 15.1603 15.5017 15.5017 16.1093 16.1093 16.1959 16.1959 16.2837 16.2837 17.9208 17.9208 18.2016 18.2016 19.1237 19.1237 19.6304 19.6304 19.9337 19.9337 20.0013 20.0013 20.7461 20.7461 22.0775 22.0775 23.1103 23.1103 23.6451 23.6451 23.8600 23.8600 26.9096 26.9096 27.9742 27.9742 28.3324 28.3324 28.7321 28.7321 k = 0.1220 0.5000-0.0000 ( 2138 PWs) bands (ev): 4.1572 4.1572 4.2094 4.2094 6.5730 6.5730 6.5920 6.5920 6.6808 6.6808 6.9799 6.9799 11.0019 11.0019 13.4175 13.4175 14.0123 14.0123 15.1100 15.1100 15.4340 15.4340 16.1104 16.1104 16.2194 16.2194 16.3268 16.3268 17.8951 17.8951 18.2023 18.2023 19.0701 19.0701 19.6264 19.6264 19.9689 19.9689 20.0308 20.0308 20.7595 20.7595 21.9985 21.9985 23.1095 23.1095 23.7014 23.7014 23.8282 23.8282 26.9411 26.9411 27.9462 27.9462 28.3193 28.3193 28.7896 28.7896 k = 0.1341 0.5000-0.0000 ( 2138 PWs) bands (ev): 4.1585 4.1585 4.2090 4.2090 6.5759 6.5759 6.5883 6.5883 6.6826 6.6826 7.0157 7.0157 11.0187 11.0187 13.3795 13.3795 14.0283 14.0283 15.0597 15.0597 15.3649 15.3649 16.1101 16.1101 16.2351 16.2351 16.3787 16.3787 17.8691 17.8691 18.2007 18.2007 19.0168 19.0168 19.6200 19.6200 20.0065 20.0065 20.0629 20.0629 20.7736 20.7736 21.9190 21.9190 23.1058 23.1058 23.7381 23.7381 23.8144 23.8144 26.9733 26.9733 27.9109 27.9109 28.3150 28.3150 28.8479 28.8479 k = 0.1463 0.5000-0.0000 ( 2138 PWs) bands (ev): 4.1600 4.1600 4.2086 4.2086 6.5783 6.5783 6.5853 6.5853 6.6847 6.6847 7.0542 7.0542 11.0371 11.0371 13.3396 13.3396 14.0416 14.0416 15.0096 15.0096 15.2962 15.2962 16.1088 16.1088 16.2464 16.2464 16.4350 16.4350 17.8431 17.8431 18.1966 18.1966 18.9639 18.9639 19.6123 19.6123 20.0438 20.0438 20.0989 20.0989 20.7878 20.7878 21.8393 21.8393 23.0992 23.0992 23.7242 23.7242 23.8499 23.8499 27.0057 27.0057 27.8691 27.8691 28.3204 28.3204 28.9056 28.9056 k = 0.1585 0.5000-0.0000 ( 2136 PWs) bands (ev): 4.1616 4.1616 4.2082 4.2082 6.5782 6.5782 6.5852 6.5852 6.6870 6.6870 7.0953 7.0953 11.0570 11.0570 13.2979 13.2979 14.0500 14.0500 14.9607 14.9607 15.2299 15.2299 16.1067 16.1067 16.2545 16.2545 16.4936 16.4936 17.8173 17.8173 18.1902 18.1902 18.9116 18.9116 19.6045 19.6045 20.0775 20.0775 20.1407 20.1407 20.8018 20.8018 21.7597 21.7597 23.0896 23.0896 23.6906 23.6906 23.9041 23.9041 27.0377 27.0377 27.8219 27.8219 28.3353 28.3353 28.9615 28.9615 k = 0.1707 0.5000-0.0000 ( 2136 PWs) bands (ev): 4.1632 4.1632 4.2077 4.2077 6.5756 6.5756 6.5878 6.5878 6.6896 6.6896 7.1389 7.1389 11.0785 11.0785 13.2549 13.2549 14.0509 14.0509 14.9142 14.9142 15.1678 15.1678 16.1039 16.1039 16.2599 16.2599 16.5534 16.5534 17.7920 17.7920 18.1815 18.1815 18.8603 18.8603 19.5973 19.5973 20.1064 20.1064 20.1886 20.1886 20.8152 20.8152 21.6803 21.6803 23.0773 23.0773 23.6538 23.6538 23.9608 23.9608 27.0689 27.0689 27.7711 27.7711 28.3591 28.3591 29.0149 29.0149 k = 0.1829 0.5000-0.0000 ( 2138 PWs) bands (ev): 4.1649 4.1649 4.2072 4.2072 6.5725 6.5725 6.5912 6.5912 6.6924 6.6924 7.1850 7.1850 11.1014 11.1014 13.2107 13.2107 14.0411 14.0411 14.8724 14.8724 15.1112 15.1112 16.1004 16.1004 16.2627 16.2627 16.6139 16.6139 17.7674 17.7674 18.1707 18.1707 18.8102 18.8102 19.5914 19.5914 20.1312 20.1312 20.2407 20.2407 20.8277 20.8277 21.6014 21.6014 23.0625 23.0625 23.6169 23.6169 24.0173 24.0173 27.0990 27.0990 27.7181 27.7181 28.3910 28.3910 29.0654 29.0654 k = 0.1951 0.5000-0.0000 ( 2130 PWs) bands (ev): 4.1667 4.1667 4.2067 4.2067 6.5694 6.5694 6.5949 6.5949 6.6954 6.6954 7.2335 7.2335 11.1259 11.1259 13.1656 13.1656 14.0175 14.0175 14.8378 14.8378 15.0614 15.0614 16.0962 16.0962 16.2629 16.2629 16.6747 16.6747 17.7438 17.7438 18.1581 18.1581 18.7616 18.7616 19.5870 19.5870 20.1530 20.1530 20.2949 20.2949 20.8390 20.8390 21.5230 21.5230 23.0456 23.0456 23.5811 23.5811 24.0729 24.0729 27.1277 27.1277 27.6642 27.6642 28.4302 28.4302 29.1129 29.1129 k = 0.2073 0.5000-0.0000 ( 2132 PWs) bands (ev): 4.1685 4.1685 4.2062 4.2062 6.5663 6.5663 6.5986 6.5986 6.6986 6.6986 7.2843 7.2843 11.1518 11.1518 13.1198 13.1198 13.9778 13.9778 14.8119 14.8119 15.0193 15.0193 16.0911 16.0911 16.2603 16.2603 16.7357 16.7357 17.7212 17.7212 18.1440 18.1440 18.7148 18.7148 19.5842 19.5842 20.1720 20.1720 20.3495 20.3495 20.8493 20.8493 21.4455 21.4455 23.0270 23.0270 23.5470 23.5470 24.1271 24.1271 27.1550 27.1550 27.6105 27.6105 28.4756 28.4756 29.1580 29.1580 k = 0.2195 0.5000-0.0000 ( 2132 PWs) bands (ev): 4.1703 4.1703 4.2057 4.2057 6.5633 6.5633 6.6023 6.6023 6.7020 6.7020 7.3373 7.3373 11.1791 11.1791 13.0735 13.0735 13.9215 13.9215 14.7941 14.7941 14.9868 14.9868 16.0851 16.0851 16.2551 16.2551 16.7965 16.7965 17.6999 17.6999 18.1287 18.1287 18.6700 18.6700 19.5830 19.5830 20.1887 20.1887 20.4028 20.4028 20.8590 20.8590 21.3688 21.3688 23.0073 23.0073 23.5151 23.5151 24.1800 24.1800 27.1809 27.1809 27.5578 27.5578 28.5260 28.5260 29.2014 29.2014 k = 0.2317 0.5000-0.0000 ( 2132 PWs) bands (ev): 4.1721 4.1721 4.2051 4.2051 6.5605 6.5605 6.6059 6.6059 6.7055 6.7055 7.3924 7.3924 11.2079 11.2079 13.0268 13.0268 13.8498 13.8498 14.7806 14.7806 14.9667 14.9667 16.0780 16.0780 16.2475 16.2475 16.8570 16.8570 17.6799 17.6799 18.1125 18.1125 18.6276 18.6276 19.5833 19.5833 20.2029 20.2029 20.4528 20.4528 20.8689 20.8689 21.2931 21.2931 22.9870 22.9870 23.4859 23.4859 24.2312 24.2312 27.2055 27.2055 27.5069 27.5069 28.5798 28.5798 29.2445 29.2445 k = 0.2439 0.5000-0.0000 ( 2132 PWs) bands (ev): 4.1740 4.1740 4.2045 4.2045 6.5578 6.5578 6.6095 6.6095 6.7092 6.7092 7.4494 7.4494 11.2379 11.2379 12.9799 12.9799 13.7651 13.7651 14.7665 14.7665 14.9617 14.9617 16.0696 16.0696 16.2377 16.2377 16.9171 16.9171 17.6613 17.6613 18.0959 18.0959 18.5877 18.5877 19.5847 19.5847 20.2147 20.2147 20.4971 20.4971 20.8808 20.8808 21.2185 21.2185 22.9667 22.9667 23.4595 23.4595 24.2808 24.2808 27.2289 27.2289 27.4585 27.4585 28.6354 28.6354 29.2886 29.2886 k = 0.2561 0.5000-0.0000 ( 2130 PWs) bands (ev): 4.1759 4.1759 4.2039 4.2039 6.5552 6.5552 6.6131 6.6131 6.7131 6.7131 7.5082 7.5082 11.2693 11.2693 12.9329 12.9329 13.6703 13.6703 14.7486 14.7486 14.9726 14.9726 16.0597 16.0597 16.2261 16.2261 16.9765 16.9765 17.6442 17.6442 18.0792 18.0792 18.5507 18.5507 19.5872 19.5872 20.2241 20.2241 20.5331 20.5331 20.8966 20.8966 21.1451 21.1451 22.9469 22.9469 23.4364 23.4364 24.3287 24.3287 27.2507 27.2507 27.4135 27.4135 28.6909 28.6909 29.3357 29.3357 k = 0.2683 0.5000-0.0000 ( 2130 PWs) bands (ev): 4.1777 4.1777 4.2033 4.2033 6.5527 6.5527 6.6165 6.6165 6.7170 6.7170 7.5687 7.5687 11.3018 11.3018 12.8859 12.8859 13.5681 13.5681 14.7271 14.7271 14.9968 14.9968 16.0481 16.0481 16.2132 16.2132 17.0349 17.0349 17.6285 17.6285 18.0626 18.0626 18.5166 18.5166 19.5903 19.5903 20.2308 20.2308 20.5582 20.5582 20.9183 20.9183 21.0731 21.0731 22.9282 22.9282 23.4166 23.4166 24.3747 24.3747 27.2692 27.2692 27.3744 27.3744 28.7440 28.7440 29.3876 29.3876 k = 0.2805 0.5000-0.0000 ( 2130 PWs) bands (ev): 4.1795 4.1795 4.2028 4.2028 6.5504 6.5504 6.6198 6.6198 6.7210 6.7210 7.6305 7.6305 11.3356 11.3356 12.8389 12.8389 13.4608 13.4608 14.7036 14.7036 15.0306 15.0306 16.0343 16.0343 16.1998 16.1998 17.0922 17.0922 17.6142 17.6142 18.0466 18.0466 18.4856 18.4856 19.5938 19.5938 20.2347 20.2347 20.5713 20.5713 20.9463 20.9463 21.0033 21.0033 22.9111 22.9111 23.4002 23.4002 24.4189 24.4189 27.2765 27.2765 27.3495 27.3495 28.7928 28.7928 29.4460 29.4460 k = 0.2927 0.5000-0.0000 ( 2138 PWs) bands (ev): 4.1813 4.1813 4.2022 4.2022 6.5481 6.5481 6.6229 6.6229 6.7251 6.7251 7.6935 7.6935 11.3704 11.3704 12.7920 12.7920 13.3503 13.3503 14.6794 14.6794 15.0709 15.0709 16.0182 16.0182 16.1863 16.1863 17.1480 17.1480 17.6014 17.6014 18.0313 18.0313 18.4579 18.4579 19.5973 19.5973 20.2355 20.2355 20.5734 20.5734 20.9300 20.9300 20.9856 20.9856 22.8959 22.8959 23.3873 23.3873 24.4611 24.4611 27.2602 27.2602 27.3519 27.3519 28.8356 28.8356 29.5122 29.5122 k = 0.3049 0.5000-0.0000 ( 2138 PWs) bands (ev): 4.1831 4.1831 4.2016 4.2016 6.5460 6.5460 6.6258 6.6258 6.7292 6.7292 7.7574 7.7574 11.4063 11.4063 12.7451 12.7451 13.2382 13.2382 14.6556 14.6556 15.1156 15.1156 15.9998 15.9998 16.1735 16.1735 17.2021 17.2021 17.5901 17.5901 18.0170 18.0170 18.4335 18.4335 19.6004 19.6004 20.2330 20.2330 20.5666 20.5666 20.8631 20.8631 21.0243 21.0243 22.8830 22.8830 23.3777 23.3777 24.5013 24.5013 27.2310 27.2310 27.3710 27.3710 28.8714 28.8714 29.5863 29.5863 k = 0.3171 0.5000-0.0000 ( 2134 PWs) bands (ev): 4.1847 4.1847 4.2010 4.2010 6.5440 6.5440 6.6286 6.6286 6.7333 6.7333 7.8219 7.8219 11.4430 11.4430 12.6982 12.6982 13.1261 13.1261 14.6325 14.6325 15.1629 15.1629 15.9792 15.9792 16.1616 16.1616 17.2540 17.2540 17.5803 17.5803 18.0040 18.0040 18.4124 18.4124 19.6028 19.6028 20.2271 20.2271 20.5534 20.5534 20.7970 20.7970 21.0664 21.0664 22.8726 22.8726 23.3712 23.3712 24.5395 24.5395 27.2001 27.2001 27.3961 27.3961 28.8998 28.8998 29.6679 29.6679 k = 0.3293 0.5000-0.0000 ( 2130 PWs) bands (ev): 4.1863 4.1863 4.2005 4.2005 6.5422 6.5422 6.6313 6.6313 6.7373 6.7373 7.8866 7.8866 11.4807 11.4807 12.6511 12.6511 13.0152 13.0152 14.6105 14.6105 15.2116 15.2116 15.9566 15.9566 16.1509 16.1509 17.3034 17.3034 17.5720 17.5720 17.9925 17.9925 18.3946 18.3946 19.6040 19.6040 20.2177 20.2177 20.5358 20.5358 20.7334 20.7334 21.1090 21.1090 22.8649 22.8649 23.3677 23.3677 24.5756 24.5756 27.1705 27.1705 27.4244 27.4244 28.9210 28.9210 29.7548 29.7548 k = 0.3415 0.5000-0.0000 ( 2130 PWs) bands (ev): 4.1878 4.1878 4.2000 4.2000 6.5405 6.5405 6.6337 6.6337 6.7413 6.7413 7.9511 7.9511 11.5190 11.5190 12.6035 12.6035 12.9069 12.9069 14.5898 14.5898 15.2604 15.2604 15.9328 15.9328 16.1414 16.1414 17.3496 17.3496 17.5655 17.5655 17.9827 17.9827 18.3800 18.3800 19.6038 19.6038 20.2049 20.2049 20.5144 20.5144 20.6738 20.6738 21.1506 21.1506 22.8598 22.8598 23.3669 23.3669 24.6096 24.6096 27.1428 27.1428 27.4554 27.4554 28.9353 28.9353 29.8430 29.8430 k = 0.3537 0.5000-0.0000 ( 2130 PWs) bands (ev): 4.1892 4.1892 4.1996 4.1996 6.5389 6.5389 6.6359 6.6359 6.7451 6.7451 8.0150 8.0150 11.5579 11.5579 12.5550 12.5550 12.8028 12.8028 14.5705 14.5705 15.3084 15.3084 15.9083 15.9083 16.1331 16.1331 17.3920 17.3920 17.5609 17.5609 17.9749 17.9749 18.3685 18.3685 19.6017 19.6017 20.1892 20.1892 20.4880 20.4880 20.6211 20.6211 21.1901 21.1901 22.8573 22.8573 23.3683 23.3683 24.6413 24.6413 27.1175 27.1175 27.4890 27.4890 28.9430 28.9430 29.9224 29.9224 k = 0.3659 0.5000-0.0000 ( 2132 PWs) bands (ev): 4.1905 4.1905 4.1992 4.1992 6.5374 6.5374 6.6380 6.6380 6.7488 6.7488 8.0776 8.0776 11.5974 11.5974 12.5044 12.5044 12.7047 12.7047 14.5526 14.5526 15.3546 15.3546 15.8840 15.8840 16.1260 16.1260 17.4298 17.4298 17.5587 17.5587 17.9692 17.9692 18.3597 18.3597 19.5974 19.5974 20.1715 20.1715 20.4541 20.4541 20.5790 20.5790 21.2270 21.2270 22.8571 22.8571 23.3717 23.3717 24.6708 24.6708 27.0944 27.0944 27.5250 27.5250 28.9443 28.9443 29.9676 29.9676 k = 0.3780 0.5000-0.0000 ( 2132 PWs) bands (ev): 4.1916 4.1916 4.1990 4.1990 6.5361 6.5361 6.6399 6.6399 6.7523 6.7523 8.1386 8.1386 11.6372 11.6372 12.4506 12.4506 12.6150 12.6150 14.5362 14.5362 15.3982 15.3982 15.8608 15.8608 16.1199 16.1199 17.4618 17.4618 17.5595 17.5595 17.9659 17.9659 18.3536 18.3536 19.5908 19.5908 20.1528 20.1528 20.4116 20.4116 20.5494 20.5494 21.2606 21.2606 22.8591 22.8591 23.3765 23.3765 24.6979 24.6979 27.0736 27.0736 27.5636 27.5636 28.9393 28.9393 29.9479 29.9479 k = 0.3902 0.5000-0.0000 ( 2128 PWs) bands (ev): 4.1925 4.1925 4.1988 4.1988 6.5348 6.5348 6.6416 6.6416 6.7556 6.7556 8.1971 8.1971 11.6771 11.6771 12.3921 12.3921 12.5361 12.5361 14.5213 14.5213 15.4381 15.4381 15.8394 15.8394 16.1147 16.1147 17.4867 17.4867 17.5644 17.5644 17.9652 17.9652 18.3496 18.3496 19.5819 19.5819 20.1342 20.1342 20.3636 20.3636 20.5298 20.5298 21.2908 21.2908 22.8628 22.8628 23.3825 23.3825 24.7227 24.7227 27.0551 27.0551 27.6045 27.6045 28.9277 28.9277 29.8846 29.8846 k = 0.4024 0.5000-0.0000 ( 2134 PWs) bands (ev): 4.1932 4.1932 4.1988 4.1988 6.5338 6.5338 6.6431 6.6431 6.7586 6.7586 8.2526 8.2526 11.7170 11.7170 12.3291 12.3291 12.4687 12.4687 14.5079 14.5079 15.4734 15.4734 15.8207 15.8207 16.1104 16.1104 17.5037 17.5037 17.5735 17.5735 17.9669 17.9669 18.3475 18.3475 19.5708 19.5708 20.1167 20.1167 20.3143 20.3143 20.5165 20.5165 21.3174 21.3174 22.8679 22.8679 23.3892 23.3892 24.7450 24.7450 27.0387 27.0387 27.6474 27.6474 28.9092 28.9092 29.8103 29.8103 k = 0.4146 0.5000-0.0000 ( 2140 PWs) bands (ev): 4.1937 4.1937 4.1989 4.1989 6.5328 6.5328 6.6444 6.6444 6.7613 6.7613 8.3042 8.3042 11.7565 11.7565 12.2646 12.2646 12.4111 12.4111 14.4961 14.4961 15.5032 15.5032 15.8056 15.8056 16.1070 16.1070 17.5144 17.5144 17.5853 17.5853 17.9708 17.9708 18.3469 18.3469 19.5579 19.5579 20.1011 20.1011 20.2665 20.2665 20.5070 20.5070 21.3404 21.3404 22.8738 22.8738 23.3961 23.3961 24.7649 24.7649 27.0244 27.0244 27.6921 27.6921 28.8839 28.8839 29.7392 29.7392 k = 0.4268 0.5000-0.0000 ( 2140 PWs) bands (ev): 4.1940 4.1940 4.1992 4.1992 6.5320 6.5320 6.6456 6.6456 6.7637 6.7637 8.3513 8.3513 11.7951 11.7951 12.2033 12.2033 12.3600 12.3600 14.4859 14.4859 15.5269 15.5269 15.7947 15.7947 16.1043 16.1043 17.5213 17.5213 17.5972 17.5972 17.9765 17.9765 18.3474 18.3474 19.5440 19.5440 20.0878 20.0878 20.2221 20.2221 20.5001 20.5001 21.3599 21.3599 22.8801 22.8801 23.4030 23.4030 24.7822 24.7822 27.0122 27.0122 27.7376 27.7376 28.8523 28.8523 29.6765 29.6765 k = 0.4390 0.5000-0.0000 ( 2144 PWs) bands (ev): 4.1941 4.1941 4.1995 4.1995 6.5313 6.5313 6.6466 6.6466 6.7658 6.7658 8.3929 8.3929 11.8319 11.8319 12.1491 12.1491 12.3131 12.3131 14.4772 14.4772 15.5441 15.5441 15.7882 15.7882 16.1022 16.1022 17.5263 17.5263 17.6073 17.6073 17.9834 17.9834 18.3486 18.3486 19.5298 19.5298 20.0772 20.0772 20.1821 20.1821 20.4950 20.4950 21.3761 21.3761 22.8864 22.8864 23.4095 23.4095 24.7969 24.7969 27.0019 27.0019 27.7829 27.7829 28.8156 28.8156 29.6244 29.6244 k = 0.4512 0.5000-0.0000 ( 2136 PWs) bands (ev): 4.1941 4.1941 4.1999 4.1999 6.5307 6.5307 6.6474 6.6474 6.7675 6.7675 8.4283 8.4283 11.8654 11.8654 12.1059 12.1059 12.2688 12.2688 14.4701 14.4701 15.5554 15.5554 15.7855 15.7855 16.1008 16.1008 17.5304 17.5304 17.6152 17.6152 17.9906 17.9906 18.3502 18.3502 19.5165 19.5165 20.0694 20.0694 20.1475 20.1475 20.4912 20.4912 21.3890 21.3890 22.8922 22.8922 23.4153 23.4153 24.8091 24.8091 26.9936 26.9936 27.8263 27.8263 28.7766 28.7766 29.5832 29.5832 k = 0.4634 0.5000-0.0000 ( 2148 PWs) bands (ev): 4.1941 4.1941 4.2002 4.2002 6.5302 6.5302 6.6480 6.6480 6.7689 6.7689 8.4567 8.4567 11.8924 11.8924 12.0780 12.0780 12.2268 12.2268 14.4645 14.4645 15.5621 15.5621 15.7856 15.7856 16.0998 16.0998 17.5336 17.5336 17.6208 17.6208 17.9972 17.9972 18.3517 18.3517 19.5050 19.5050 20.0644 20.0644 20.1189 20.1189 20.4884 20.4884 21.3989 21.3989 22.8971 22.8971 23.4200 23.4200 24.8185 24.8185 26.9871 26.9871 27.8655 27.8655 28.7387 28.7387 29.5526 29.5526 k = 0.4756 0.5000-0.0000 ( 2156 PWs) bands (ev): 4.1941 4.1941 4.2004 4.2004 6.5299 6.5299 6.6484 6.6484 6.7699 6.7699 8.4776 8.4776 11.9092 11.9092 12.0696 12.0696 12.1872 12.1872 14.4606 14.4606 15.5654 15.5654 15.7869 15.7869 16.0992 16.0992 17.5361 17.5361 17.6245 17.6245 18.0026 18.0026 18.3530 18.3530 19.4960 19.4960 20.0625 20.0625 20.0965 20.0965 20.4866 20.4866 21.4058 21.4058 22.9008 22.9008 23.4236 23.4236 24.8253 24.8253 26.9826 26.9826 27.8974 27.8974 28.7065 28.7065 29.5317 29.5317 k = 0.4878 0.5000-0.0000 ( 2160 PWs) bands (ev): 4.1940 4.1940 4.2006 4.2006 6.5297 6.5297 6.6487 6.6487 6.7704 6.7704 8.4903 8.4903 11.9157 11.9157 12.0797 12.0797 12.1517 12.1517 14.4582 14.4582 15.5669 15.5669 15.7882 15.7882 16.0989 16.0989 17.5377 17.5377 17.6266 17.6266 18.0061 18.0061 18.3539 18.3539 19.4904 19.4904 20.0640 20.0640 20.0803 20.0803 20.4855 20.4855 21.4099 21.4099 22.9031 22.9031 23.4258 23.4258 24.8294 24.8294 26.9798 26.9798 27.9185 27.9185 28.6846 28.6846 29.5195 29.5195 k = 0.5000 0.5000-0.0000 ( 2160 PWs) bands (ev): 4.1940 4.1940 4.2006 4.2006 6.5297 6.5297 6.6488 6.6488 6.7706 6.7706 8.4945 8.4945 11.9168 11.9168 12.0924 12.0924 12.1316 12.1316 14.4574 14.4574 15.5673 15.5673 15.7888 15.7888 16.0988 16.0988 17.5382 17.5382 17.6272 17.6272 18.0073 18.0073 18.3542 18.3542 19.4885 19.4885 20.0696 20.0696 20.0697 20.0697 20.4852 20.4852 21.4113 21.4113 22.9039 22.9039 23.4266 23.4266 24.8307 24.8307 26.9789 26.9789 27.9259 27.9259 28.6768 28.6768 29.5155 29.5155 k = 0.5000 0.5000-0.0000 ( 2160 PWs) bands (ev): 4.1940 4.1940 4.2006 4.2006 6.5297 6.5297 6.6488 6.6488 6.7706 6.7706 8.4945 8.4945 11.9168 11.9168 12.0924 12.0924 12.1316 12.1316 14.4574 14.4574 15.5673 15.5673 15.7888 15.7888 16.0988 16.0988 17.5382 17.5382 17.6272 17.6272 18.0073 18.0073 18.3542 18.3542 19.4885 19.4885 20.0696 20.0696 20.0697 20.0697 20.4852 20.4852 21.4113 21.4113 22.9039 22.9039 23.4266 23.4266 24.8307 24.8307 26.9789 26.9789 27.9259 27.9259 28.6768 28.6768 29.5155 29.5155 k = 0.4914 0.4914-0.0000 ( 2160 PWs) bands (ev): 4.1940 4.1940 4.2006 4.2006 6.5297 6.5297 6.6487 6.6487 6.7704 6.7704 8.4903 8.4903 11.9159 11.9159 12.0791 12.0791 12.1521 12.1521 14.4582 14.4582 15.5669 15.5669 15.7882 15.7882 16.0989 16.0989 17.5377 17.5377 17.6266 17.6266 18.0061 18.0061 18.3539 18.3539 19.4904 19.4904 20.0641 20.0641 20.0802 20.0802 20.4855 20.4855 21.4099 21.4099 22.9031 22.9031 23.4258 23.4258 24.8294 24.8294 26.9798 26.9798 27.9185 27.9185 28.6845 28.6845 29.5195 29.5195 k = 0.4828 0.4828-0.0000 ( 2148 PWs) bands (ev): 4.1941 4.1941 4.2004 4.2004 6.5299 6.5299 6.6484 6.6484 6.7699 6.7699 8.4775 8.4775 11.9124 11.9124 12.0633 12.0633 12.1904 12.1904 14.4606 14.4606 15.5658 15.5658 15.7866 15.7866 16.0992 16.0992 17.5361 17.5361 17.6244 17.6244 18.0027 18.0027 18.3530 18.3530 19.4963 19.4963 20.0630 20.0630 20.0958 20.0958 20.4866 20.4866 21.4058 21.4058 22.9008 22.9008 23.4236 23.4236 24.8253 24.8253 26.9825 26.9825 27.8979 27.8979 28.7055 28.7055 29.5320 29.5320 k = 0.4741 0.4741-0.0000 ( 2148 PWs) bands (ev): 4.1941 4.1941 4.2002 4.2002 6.5302 6.5302 6.6480 6.6480 6.7689 6.7689 8.4565 8.4565 11.9047 11.9047 12.0563 12.0563 12.2363 12.2363 14.4645 14.4645 15.5637 15.5637 15.7843 15.7843 16.0998 16.0998 17.5334 17.5334 17.6203 17.6203 17.9978 17.9978 18.3516 18.3516 19.5060 19.5060 20.0657 20.0657 20.1167 20.1167 20.4885 20.4885 21.3989 21.3989 22.8969 22.8969 23.4201 23.4201 24.8185 24.8185 26.9870 26.9870 27.8680 27.8680 28.7342 28.7342 29.5545 29.5545 k = 0.4655 0.4655-0.0000 ( 2142 PWs) bands (ev): 4.1941 4.1941 4.1999 4.1999 6.5306 6.5306 6.6474 6.6474 6.7675 6.7675 8.4276 8.4276 11.8918 11.8918 12.0600 12.0600 12.2886 12.2886 14.4700 14.4700 15.5606 15.5606 15.7816 15.7816 16.1008 16.1008 17.5296 17.5296 17.6136 17.6136 17.9922 17.9922 18.3499 18.3499 19.5198 19.5198 20.0715 20.0715 20.1426 20.1426 20.4914 20.4914 21.3891 21.3891 22.8916 22.8916 23.4155 23.4155 24.8091 24.8091 26.9933 26.9933 27.8333 27.8333 28.7639 28.7639 29.5888 29.5888 k = 0.4569 0.4569-0.0000 ( 2146 PWs) bands (ev): 4.1940 4.1940 4.1995 4.1995 6.5312 6.5312 6.6466 6.6466 6.7657 6.7657 8.3913 8.3913 11.8743 11.8743 12.0738 12.0738 12.3468 12.3468 14.4770 14.4770 15.5561 15.5561 15.7791 15.7791 16.1022 16.1022 17.5246 17.5246 17.6035 17.6035 17.9872 17.9872 18.3479 18.3479 19.5376 19.5376 20.0797 20.0797 20.1732 20.1732 20.4954 20.4954 21.3762 21.3762 22.8851 22.8851 23.4101 23.4101 24.7970 24.7970 27.0011 27.0011 27.7977 27.7977 28.7881 28.7881 29.6368 29.6368 k = 0.4483 0.4483-0.0000 ( 2146 PWs) bands (ev): 4.1939 4.1939 4.1992 4.1992 6.5318 6.5318 6.6456 6.6456 6.7635 6.7635 8.3480 8.3480 11.8533 11.8533 12.0962 12.0962 12.4106 12.4106 14.4855 14.4855 15.5501 15.5501 15.7774 15.7774 16.1044 16.1044 17.5178 17.5178 17.5899 17.5899 17.9837 17.9837 18.3461 18.3461 19.5595 19.5595 20.0894 20.0894 20.2078 20.2078 20.5009 20.5009 21.3604 21.3604 22.8775 22.8775 23.4041 23.4041 24.7824 24.7824 27.0107 27.0107 27.7641 27.7641 28.8024 28.8024 29.6992 29.6992 k = 0.4397 0.4397-0.0000 ( 2142 PWs) bands (ev): 4.1935 4.1935 4.1989 4.1989 6.5324 6.5324 6.6445 6.6445 6.7610 6.7610 8.2984 8.2984 11.8297 11.8297 12.1258 12.1258 12.4799 12.4799 14.4955 14.4955 15.5425 15.5425 15.7769 15.7769 16.1073 16.1073 17.5079 17.5079 17.5734 17.5734 17.9828 17.9828 18.3449 18.3449 19.5852 19.5852 20.0998 20.0998 20.2456 20.2456 20.5082 20.5082 21.3414 21.3414 22.8692 22.8692 23.3979 23.3979 24.7652 24.7652 27.0219 27.0219 27.7345 27.7345 28.8043 28.8043 29.7750 29.7750 k = 0.4310 0.4310-0.0000 ( 2138 PWs) bands (ev): 4.1930 4.1930 4.1987 4.1987 6.5331 6.5331 6.6432 6.6432 6.7581 6.7581 8.2431 8.2431 11.8040 11.8040 12.1617 12.1617 12.5543 12.5543 14.5069 14.5069 15.5334 15.5334 15.7783 15.7783 16.1111 16.1111 17.4926 17.4926 17.5562 17.5562 17.9848 17.9848 18.3446 18.3446 19.6149 19.6149 20.1101 20.1101 20.2857 20.2857 20.5177 20.5177 21.3196 21.3196 22.8603 22.8603 23.3917 23.3917 24.7455 24.7455 27.0349 27.0349 27.7101 27.7101 28.7931 28.7931 29.8605 29.8605 k = 0.4224 0.4224-0.0000 ( 2134 PWs) bands (ev): 4.1922 4.1922 4.1986 4.1986 6.5339 6.5339 6.6418 6.6418 6.7548 6.7548 8.1827 8.1827 11.7762 11.7762 12.2035 12.2035 12.6334 12.6334 14.5197 14.5197 15.5230 15.5230 15.7816 15.7816 16.1160 16.1160 17.4688 17.4688 17.5412 17.5412 17.9898 17.9898 18.3459 18.3459 19.6481 19.6481 20.1196 20.1196 20.3266 20.3266 20.5299 20.5299 21.2951 21.2951 22.8513 22.8513 23.3858 23.3858 24.7234 24.7234 27.0497 27.0497 27.6917 27.6917 28.7695 28.7695 29.9464 29.9464 k = 0.4138 0.4138-0.0000 ( 2130 PWs) bands (ev): 4.1911 4.1911 4.1986 4.1986 6.5346 6.5346 6.6402 6.6402 6.7511 6.7511 8.1179 8.1179 11.7463 11.7463 12.2507 12.2507 12.7168 12.7168 14.5338 14.5338 15.5119 15.5119 15.7870 15.7870 16.1221 16.1221 17.4359 17.4359 17.5294 17.5294 17.9976 17.9976 18.3493 18.3493 19.6848 19.6848 20.1275 20.1275 20.3666 20.3666 20.5458 20.5458 21.2686 21.2686 22.8425 22.8425 23.3802 23.3802 24.6989 24.6989 27.0666 27.0666 27.6793 27.6793 28.7345 28.7345 29.9976 29.9976 k = 0.4052 0.4052-0.0000 ( 2128 PWs) bands (ev): 4.1899 4.1899 4.1986 4.1986 6.5352 6.5352 6.6384 6.6384 6.7471 6.7471 8.0491 8.0491 11.7143 11.7143 12.3031 12.3031 12.8042 12.8042 14.5491 14.5491 15.5007 15.5007 15.7946 15.7946 16.1296 16.1296 17.3958 17.3958 17.5197 17.5197 18.0078 18.0078 18.3555 18.3555 19.7245 19.7245 20.1335 20.1335 20.4033 20.4033 20.5666 20.5666 21.2410 21.2410 22.8341 22.8341 23.3753 23.3753 24.6722 24.6722 27.0858 27.0858 27.6726 27.6726 28.6893 28.6893 29.9446 29.9446 k = 0.3966 0.3966-0.0000 ( 2128 PWs) bands (ev): 4.1884 4.1884 4.1986 4.1986 6.5358 6.5358 6.6365 6.6365 6.7427 6.7427 7.9771 7.9771 11.6799 11.6799 12.3606 12.3606 12.8952 12.8952 14.5657 14.5657 15.4900 15.4900 15.8041 15.8041 16.1386 16.1386 17.3502 17.3502 17.5107 17.5107 18.0199 18.0199 18.3648 18.3648 19.7668 19.7668 20.1374 20.1374 20.4337 20.4337 20.5934 20.5934 21.2135 21.2135 22.8264 22.8264 23.3710 23.3710 24.6431 24.6431 27.1077 27.1077 27.6708 27.6708 28.6351 28.6351 29.8281 29.8281 k = 0.3879 0.3879-0.0000 ( 2126 PWs) bands (ev): 4.1868 4.1868 4.1986 4.1986 6.5363 6.5363 6.6345 6.6345 6.7379 6.7379 7.9023 7.9023 11.6431 11.6431 12.4229 12.4229 12.9892 12.9892 14.5834 14.5834 15.4805 15.4805 15.8155 15.8155 16.1491 16.1491 17.3004 17.3004 17.5015 17.5015 18.0337 18.0337 18.3777 18.3777 19.8112 19.8112 20.1390 20.1390 20.4554 20.4554 20.6269 20.6269 21.1880 21.1880 22.8196 22.8196 23.3674 23.3674 24.6120 24.6120 27.1324 27.1324 27.6726 27.6726 28.5733 28.5733 29.6964 29.6964 k = 0.3793 0.3793-0.0000 ( 2126 PWs) bands (ev): 4.1851 4.1851 4.1985 4.1985 6.5366 6.5366 6.6323 6.6323 6.7328 6.7328 7.8252 7.8252 11.6039 11.6039 12.4901 12.4901 13.0860 13.0860 14.6022 14.6022 15.4729 15.4729 15.8286 15.8286 16.1613 16.1613 17.2474 17.2474 17.4918 17.4918 18.0488 18.0488 18.3944 18.3944 19.8569 19.8569 20.1388 20.1388 20.4676 20.4676 20.6655 20.6655 21.1665 21.1665 22.8138 22.8138 23.3645 23.3645 24.5787 24.5787 27.1601 27.1601 27.6761 27.6761 28.5060 28.5060 29.5609 29.5609 k = 0.3707 0.3707-0.0000 ( 2134 PWs) bands (ev): 4.1832 4.1832 4.1983 4.1983 6.5367 6.5367 6.6299 6.6299 6.7274 6.7274 7.7463 7.7463 11.5621 11.5621 12.5620 12.5620 13.1850 13.1850 14.6219 14.6219 15.4678 15.4678 15.8432 15.8432 16.1754 16.1754 17.1920 17.1920 17.4812 17.4812 18.0652 18.0652 18.4150 18.4150 19.9023 19.9023 20.1376 20.1376 20.4705 20.4705 20.7071 20.7071 21.1516 21.1516 22.8090 22.8090 23.3622 23.3622 24.5433 24.5433 27.1911 27.1911 27.6785 27.6785 28.4358 28.4358 29.4249 29.4249 k = 0.3621 0.3621-0.0000 ( 2140 PWs) bands (ev): 4.1812 4.1812 4.1980 4.1980 6.5365 6.5365 6.6274 6.6274 6.7217 6.7217 7.6660 7.6660 11.5177 11.5177 12.6385 12.6385 13.2858 13.2858 14.6427 14.6427 15.4657 15.4657 15.8594 15.8594 16.1913 16.1913 17.1346 17.1346 17.4695 17.4695 18.0831 18.0831 18.4394 18.4394 19.9446 19.9446 20.1379 20.1379 20.4647 20.4647 20.7490 20.7490 21.1455 21.1455 22.8051 22.8051 23.3604 23.3604 24.5060 24.5060 27.2253 27.2253 27.6756 27.6756 28.3672 28.3672 29.2896 29.2896 k = 0.3534 0.3534-0.0000 ( 2136 PWs) bands (ev): 4.1791 4.1791 4.1976 4.1976 6.5361 6.5361 6.6247 6.6247 6.7157 6.7157 7.5848 7.5848 11.4708 11.4708 12.7194 12.7194 13.3882 13.3882 14.6643 14.6643 15.4671 15.4671 15.8769 15.8769 16.2093 16.2093 17.0758 17.0758 17.4567 17.4567 18.1024 18.1024 18.4674 18.4674 19.9781 19.9781 20.1446 20.1446 20.4512 20.4512 20.7895 20.7895 21.1498 21.1498 22.8020 22.8020 23.3591 23.3591 24.4669 24.4669 27.2625 27.2625 27.6615 27.6615 28.3063 28.3063 29.1553 29.1553 k = 0.3448 0.3448-0.0000 ( 2135 PWs) bands (ev): 4.1769 4.1769 4.1971 4.1971 6.5353 6.5353 6.6218 6.6218 6.7093 6.7093 7.5030 7.5030 11.4214 11.4214 12.8048 12.8048 13.4916 13.4916 14.6868 14.6868 15.4723 15.4723 15.8956 15.8956 16.2293 16.2293 17.0160 17.0160 17.4428 17.4428 18.1232 18.1232 18.4988 18.4988 19.9950 19.9950 20.1647 20.1647 20.4315 20.4315 20.8271 20.8271 21.1652 21.1652 22.7995 22.7995 23.3581 23.3581 24.4259 24.4259 27.3023 27.3023 27.6289 27.6289 28.2607 28.2607 29.0221 29.0221 k = 0.3362 0.3362-0.0000 ( 2135 PWs) bands (ev): 4.1746 4.1746 4.1963 4.1963 6.5341 6.5341 6.6187 6.6187 6.7027 6.7027 7.4210 7.4210 11.3697 11.3697 12.8944 12.8944 13.5957 13.5957 14.7100 14.7100 15.4817 15.4817 15.9156 15.9156 16.2514 16.2514 16.9554 16.9554 17.4277 17.4277 18.1457 18.1457 18.5333 18.5333 19.9925 19.9925 20.2000 20.2000 20.4083 20.4083 20.8616 20.8616 21.1911 21.1911 22.7975 22.7975 23.3574 23.3574 24.3832 24.3832 27.3438 27.3438 27.5730 27.5730 28.2365 28.2365 28.8897 28.8897 k = 0.3276 0.3276-0.0000 ( 2135 PWs) bands (ev): 4.1721 4.1721 4.1954 4.1954 6.5324 6.5324 6.6154 6.6154 6.6958 6.6958 7.3392 7.3392 11.3157 11.3157 12.9881 12.9881 13.7002 13.7002 14.7340 14.7340 15.4953 15.4953 15.9366 15.9366 16.2758 16.2758 16.8945 16.8945 17.4117 17.4117 18.1698 18.1698 18.5705 18.5705 19.9751 19.9751 20.2438 20.2438 20.3851 20.3851 20.8929 20.8929 21.2259 21.2259 22.7958 22.7958 23.3568 23.3568 24.3389 24.3389 27.3836 27.3836 27.4957 27.4957 28.2354 28.2354 28.7579 28.7579 k = 0.3190 0.3190-0.0000 ( 2135 PWs) bands (ev): 4.1696 4.1696 4.1943 4.1943 6.5301 6.5301 6.6118 6.6118 6.6886 6.6886 7.2579 7.2579 11.2597 11.2597 13.0858 13.0858 13.8047 13.8047 14.7587 14.7587 15.5133 15.5133 15.9588 15.9588 16.3024 16.3024 16.8334 16.8334 17.3949 17.3949 18.1955 18.1955 18.6102 18.6102 19.9480 19.9480 20.2844 20.2844 20.3706 20.3706 20.9220 20.9220 21.2678 21.2678 22.7940 22.7940 23.3563 23.3563 24.2930 24.2930 27.3697 27.3697 27.4522 27.4522 28.2542 28.2542 28.6262 28.6262 k = 0.3103 0.3103-0.0000 ( 2135 PWs) bands (ev): 4.1671 4.1671 4.1930 4.1930 6.5270 6.5270 6.6079 6.6079 6.6812 6.6812 7.1776 7.1776 11.2018 11.2018 13.1874 13.1874 13.9088 13.9088 14.7840 14.7840 15.5357 15.5357 15.9818 15.9818 16.3314 16.3314 16.7725 16.7725 17.3775 17.3775 18.2225 18.2225 18.6521 18.6521 19.9141 19.9141 20.2972 20.2972 20.3878 20.3878 20.9495 20.9495 21.3148 21.3148 22.7921 22.7921 23.3556 23.3556 24.2458 24.2458 27.2595 27.2595 27.4892 27.4892 28.2887 28.2887 28.4943 28.4943 k = 0.3017 0.3017-0.0000 ( 2135 PWs) bands (ev): 4.1644 4.1644 4.1915 4.1915 6.5229 6.5229 6.6036 6.6036 6.6736 6.6736 7.0988 7.0988 11.1423 11.1423 13.2927 13.2927 14.0122 14.0122 14.8100 14.8100 15.5625 15.5625 16.0058 16.0058 16.3626 16.3626 16.7121 16.7121 17.3597 17.3597 18.2505 18.2505 18.6959 18.6959 19.8759 19.8759 20.2843 20.2843 20.4336 20.4336 20.9764 20.9764 21.3653 21.3653 22.7899 22.7899 23.3547 23.3547 24.1973 24.1973 27.1300 27.1300 27.5332 27.5332 28.3346 28.3346 28.3628 28.3628 k = 0.2931 0.2931-0.0000 ( 2127 PWs) bands (ev): 4.1617 4.1617 4.1897 4.1897 6.5174 6.5174 6.5988 6.5988 6.6658 6.6658 7.0222 7.0222 11.0814 11.0814 13.4015 13.4015 14.1144 14.1144 14.8367 14.8367 15.5936 15.5936 16.0307 16.0307 16.3959 16.3959 16.6524 16.6524 17.3416 17.3416 18.2793 18.2793 18.7415 18.7415 19.8355 19.8355 20.2664 20.2664 20.4864 20.4864 21.0034 21.0034 21.4179 21.4179 22.7873 22.7873 23.3535 23.3535 24.1476 24.1476 26.9911 26.9911 27.5761 27.5761 28.2298 28.2298 28.3912 28.3912 k = 0.2845 0.2845-0.0000 ( 2131 PWs) bands (ev): 4.1589 4.1589 4.1878 4.1878 6.5100 6.5100 6.5935 6.5935 6.6577 6.6577 6.9486 6.9486 11.0193 11.0193 13.5136 13.5136 14.2151 14.2151 14.8640 14.8640 15.6287 15.6287 16.0563 16.0563 16.4310 16.4310 16.5943 16.5943 17.3236 17.3236 18.3084 18.3084 18.7887 18.7887 19.7949 19.7949 20.2488 20.2488 20.5395 20.5395 21.0316 21.0316 21.4719 21.4719 22.7841 22.7841 23.3519 23.3519 24.0969 24.0969 26.8459 26.8459 27.6149 27.6149 28.0992 28.0992 28.4542 28.4542 k = 0.2759 0.2759-0.0000 ( 2131 PWs) bands (ev): 4.1561 4.1561 4.1856 4.1856 6.4995 6.4995 6.5874 6.5874 6.6496 6.6496 6.8793 6.8793 10.9563 10.9563 13.6288 13.6288 14.3139 14.3139 14.8921 14.8921 15.6677 15.6677 16.0825 16.0825 16.4645 16.4645 16.5410 16.5410 17.3058 17.3058 18.3373 18.3373 18.8373 18.8373 19.7560 19.7560 20.2326 20.2326 20.5903 20.5903 21.0618 21.0618 21.5265 21.5265 22.7802 22.7802 23.3496 23.3496 24.0454 24.0454 26.6962 26.6962 27.6438 27.6438 27.9746 27.9746 28.5232 28.5232 k = 0.2672 0.2672-0.0000 ( 2129 PWs) bands (ev): 4.1532 4.1532 4.1832 4.1832 6.4845 6.4845 6.5807 6.5807 6.6414 6.6414 6.8160 6.8160 10.8927 10.8927 13.7469 13.7469 14.4103 14.4103 14.9211 14.9211 15.7102 15.7102 16.1093 16.1093 16.4623 16.4623 16.5272 16.5272 17.2885 17.2885 18.3658 18.3658 18.8872 18.8872 19.7204 19.7204 20.2180 20.2180 20.6372 20.6372 21.0951 21.0951 21.5811 21.5811 22.7758 22.7758 23.3467 23.3467 23.9933 23.9933 26.5433 26.5433 27.6449 27.6449 27.8730 27.8730 28.5969 28.5969 k = 0.2586 0.2586-0.0000 ( 2125 PWs) bands (ev): 4.1503 4.1503 4.1806 4.1806 6.4626 6.4626 6.5733 6.5733 6.6332 6.6332 6.7609 6.7609 10.8288 10.8288 13.8675 13.8675 14.5038 14.5038 14.9511 14.9511 15.7558 15.7558 16.1363 16.1363 16.4141 16.4141 16.5636 16.5636 17.2717 17.2717 18.3933 18.3933 18.9382 18.9382 19.6897 19.6897 20.2049 20.2049 20.6787 20.6787 21.1325 21.1325 21.6353 21.6353 22.7707 22.7707 23.3428 23.3428 23.9407 23.9407 26.3884 26.3884 27.5822 27.5822 27.8300 27.8300 28.6741 28.6741 k = 0.2500 0.2500-0.0000 ( 2125 PWs) bands (ev): 4.1474 4.1474 4.1777 4.1777 6.4317 6.4317 6.5657 6.5657 6.6251 6.6251 6.7161 6.7161 10.7647 10.7647 13.9903 13.9903 14.5939 14.5939 14.9825 14.9825 15.8042 15.8042 16.1627 16.1627 16.3625 16.3625 16.6081 16.6081 17.2558 17.2558 18.4196 18.4196 18.9903 18.9903 19.6649 19.6649 20.1933 20.1933 20.7138 20.7138 21.1746 21.1746 21.6887 21.6887 22.7650 22.7650 23.3379 23.3379 23.8878 23.8878 26.2323 26.2323 27.4662 27.4662 27.8341 27.8341 28.7536 28.7536 k = 0.2414 0.2414-0.0000 ( 2125 PWs) bands (ev): 4.1444 4.1444 4.1747 4.1747 6.3908 6.3908 6.5583 6.5583 6.6174 6.6174 6.6818 6.6818 10.7008 10.7008 14.1148 14.1148 14.6797 14.6797 15.0157 15.0157 15.8546 15.8546 16.1864 16.1864 16.3151 16.3151 16.6560 16.6560 17.2409 17.2409 18.4448 18.4448 19.0432 19.0432 19.6469 19.6469 20.1830 20.1830 20.7417 20.7417 21.2220 21.2220 21.7411 21.7411 22.7587 22.7587 23.3318 23.3318 23.8350 23.8350 26.0755 26.0755 27.3310 27.3310 27.8510 27.8510 28.8341 28.8341 k = 0.2328 0.2328-0.0000 ( 2127 PWs) bands (ev): 4.1415 4.1415 4.1715 4.1715 6.3415 6.3415 6.5514 6.5514 6.6099 6.6099 6.6566 6.6566 10.6373 10.6373 14.2405 14.2405 14.7603 14.7603 15.0516 15.0516 15.9065 15.9065 16.1973 16.1973 16.2827 16.2827 16.7065 16.7065 17.2271 17.2271 18.4690 18.4690 19.0968 19.0968 19.6363 19.6363 20.1741 20.1741 20.7625 20.7625 21.2744 21.2744 21.7920 21.7920 22.7521 22.7521 23.3243 23.3243 23.7826 23.7826 25.9188 25.9188 27.1884 27.1884 27.8682 27.8682 28.9142 28.9142 k = 0.2241 0.2241-0.0000 ( 2127 PWs) bands (ev): 4.1385 4.1385 4.1681 4.1681 6.2863 6.2863 6.5450 6.5450 6.6027 6.6027 6.6377 6.6377 10.5745 10.5745 14.3668 14.3668 14.8347 14.8347 15.0910 15.0910 15.9586 15.9586 16.1772 16.1772 16.2847 16.2847 16.7594 16.7594 17.2147 17.2147 18.4926 18.4926 19.1508 19.1508 19.6331 19.6331 20.1666 20.1666 20.7765 20.7765 21.3311 21.3311 21.8414 21.8414 22.7453 22.7453 23.3150 23.3150 23.7309 23.7309 25.7627 25.7627 27.0424 27.0424 27.8813 27.8813 28.9923 28.9923 k = 0.2155 0.2155-0.0000 ( 2135 PWs) bands (ev): 4.1356 4.1356 4.1645 4.1645 6.2280 6.2280 6.5392 6.5392 6.5957 6.5957 6.6231 6.6231 10.5125 10.5125 14.4926 14.4926 14.9017 14.9017 15.1354 15.1354 16.0074 16.0074 16.1422 16.1422 16.3082 16.3082 16.8144 16.8144 17.2040 17.2040 18.5164 18.5164 19.2049 19.2049 19.6372 19.6372 20.1606 20.1606 20.7841 20.7841 21.3915 21.3915 21.8887 21.8887 22.7383 22.7383 23.3038 23.3038 23.6802 23.6802 25.6077 25.6077 26.8944 26.8944 27.8884 27.8884 29.0669 29.0669 k = 0.2069 0.2069-0.0000 ( 2123 PWs) bands (ev): 4.1327 4.1327 4.1609 4.1609 6.1683 6.1683 6.5338 6.5338 6.5888 6.5888 6.6112 6.6112 10.4515 10.4515 14.6167 14.6167 14.9605 14.9605 15.1859 15.1859 16.0365 16.0365 16.1234 16.1234 16.3381 16.3381 16.8714 16.8714 17.1952 17.1952 18.5412 18.5412 19.2585 19.2585 19.6481 19.6481 20.1561 20.1561 20.7861 20.7861 21.4546 21.4546 21.9339 21.9339 22.7315 22.7315 23.2902 23.2902 23.6312 23.6312 25.4544 25.4544 26.7454 26.7454 27.8879 27.8879 29.1361 29.1361 k = 0.1983 0.1983-0.0000 ( 2123 PWs) bands (ev): 4.1298 4.1298 4.1570 4.1570 6.1084 6.1084 6.5287 6.5287 6.5816 6.5816 6.6013 6.6013 10.3919 10.3919 14.7372 14.7372 15.0113 15.0113 15.2432 15.2432 16.0184 16.0184 16.1516 16.1516 16.3708 16.3708 16.9299 16.9299 17.1891 17.1891 18.5680 18.5680 19.3111 19.3111 19.6653 19.6653 20.1534 20.1534 20.7830 20.7830 21.5197 21.5197 21.9767 21.9767 22.7251 22.7251 23.2739 23.2739 23.5841 23.5841 25.3033 25.3033 26.5961 26.5961 27.8785 27.8785 29.1985 29.1985 k = 0.1897 0.1897-0.0000 ( 2127 PWs) bands (ev): 4.1270 4.1270 4.1531 4.1531 6.0491 6.0491 6.5239 6.5239 6.5741 6.5741 6.5929 6.5929 10.3337 10.3337 14.8517 14.8517 15.0555 15.0555 15.3078 15.3078 15.9806 15.9806 16.1997 16.1997 16.4054 16.4054 16.9892 16.9892 17.1866 17.1866 18.5975 18.5975 19.3622 19.3622 19.6879 19.6879 20.1527 20.1527 20.7753 20.7753 21.5860 21.5860 22.0167 22.0167 22.7192 22.7192 23.2544 23.2544 23.5394 23.5394 25.1550 25.1550 26.4472 26.4472 27.8590 27.8590 29.2525 29.2525 k = 0.1810 0.1810-0.0000 ( 2123 PWs) bands (ev): 4.1242 4.1242 4.1491 4.1491 5.9911 5.9911 6.5192 6.5192 6.5664 6.5664 6.5857 6.5857 10.2771 10.2771 14.9566 14.9566 15.0949 15.0949 15.3799 15.3799 15.9401 15.9401 16.2505 16.2505 16.4418 16.4418 17.0476 17.0476 17.1898 17.1898 18.6307 18.6307 19.4109 19.4109 19.7153 19.7153 20.1542 20.1542 20.7635 20.7635 21.6529 21.6529 22.0538 22.0538 22.7142 22.7142 23.2316 23.2316 23.4975 23.4975 25.0104 25.0104 26.2993 26.2993 27.8282 27.8282 29.2973 29.2973 k = 0.1724 0.1724-0.0000 ( 2135 PWs) bands (ev): 4.1214 4.1214 4.1451 4.1451 5.9346 5.9346 6.5147 6.5147 6.5584 6.5584 6.5794 6.5794 10.2223 10.2223 15.0474 15.0474 15.1325 15.1325 15.4601 15.4601 15.9003 15.9003 16.3004 16.3004 16.4802 16.4802 17.1005 17.1005 17.2040 17.2040 18.6681 18.6681 19.4565 19.4565 19.7465 19.7465 20.1580 20.1580 20.7478 20.7478 21.7198 21.7198 22.0876 22.0876 22.7102 22.7102 23.2054 23.2054 23.4582 23.4582 24.8703 24.8703 26.1530 26.1530 27.7851 27.7851 29.3324 29.3324 k = 0.1638 0.1638-0.0000 ( 2135 PWs) bands (ev): 4.1187 4.1187 4.1410 4.1410 5.8800 5.8800 6.5102 6.5102 6.5504 6.5504 6.5738 6.5738 10.1694 10.1694 15.1180 15.1180 15.1730 15.1730 15.5482 15.5482 15.8626 15.8626 16.3474 16.3474 16.5210 16.5210 17.1391 17.1391 17.2383 17.2383 18.7100 18.7100 19.4984 19.4984 19.7806 19.7806 20.1645 20.1645 20.7287 20.7287 21.7860 21.7860 22.1181 22.1181 22.7074 22.7074 23.1760 23.1760 23.4212 23.4212 24.7359 24.7359 26.0089 26.0089 27.7289 27.7289 29.3583 29.3583 k = 0.1552 0.1552-0.0000 ( 2127 PWs) bands (ev): 4.1161 4.1161 4.1369 4.1369 5.8275 5.8275 6.5059 6.5059 6.5425 6.5425 6.5686 6.5686 10.1187 10.1187 15.1648 15.1648 15.2206 15.2206 15.6407 15.6407 15.8294 15.8294 16.3905 16.3905 16.5647 16.5647 17.1642 17.1642 17.2929 17.2929 18.7566 18.7566 19.5361 19.5361 19.8167 19.8167 20.1737 20.1737 20.7064 20.7064 21.8510 21.8510 22.1452 22.1452 22.7059 22.7059 23.1442 23.1442 23.3853 23.3853 24.6086 24.6086 25.8677 25.8677 27.6591 27.6591 29.3760 29.3760 k = 0.1466 0.1466-0.0000 ( 2127 PWs) bands (ev): 4.1136 4.1136 4.1328 4.1328 5.7772 5.7772 6.5017 6.5017 6.5347 6.5347 6.5639 6.5639 10.0701 10.0701 15.1975 15.1975 15.2669 15.2669 15.7207 15.7207 15.8149 15.8149 16.4286 16.4286 16.6122 16.6122 17.1861 17.1861 17.3578 17.3578 18.8078 18.8078 19.5690 19.5690 19.8539 19.8539 20.1857 20.1857 20.6812 20.6812 21.9141 21.9141 22.1691 22.1691 22.7056 22.7056 23.1108 23.1108 23.3493 23.3493 24.4900 24.4900 25.7299 25.7299 27.5757 27.5757 29.3871 29.3871 k = 0.1379 0.1379-0.0000 ( 2131 PWs) bands (ev): 4.1112 4.1112 4.1288 4.1288 5.7293 5.7293 6.4977 6.4977 6.5272 6.5272 6.5594 6.5594 10.0238 10.0238 15.2247 15.2247 15.3060 15.3060 15.7316 15.7316 15.8719 15.8719 16.4609 16.4609 16.6644 16.6644 17.2106 17.2106 17.4276 17.4276 18.8631 18.8631 19.5972 19.5972 19.8913 19.8913 20.2001 20.2001 20.6535 20.6535 21.9743 21.9743 22.1904 22.1904 22.7062 22.7062 23.0768 23.0768 23.3116 23.3116 24.3823 24.3823 25.5962 25.5962 27.4790 27.4790 29.3934 29.3934 k = 0.1293 0.1293-0.0000 ( 2127 PWs) bands (ev): 4.1088 4.1088 4.1248 4.1248 5.6838 5.6838 6.4937 6.4937 6.5199 6.5199 6.5552 6.5552 9.9799 9.9799 15.2490 15.2490 15.3375 15.3375 15.7077 15.7077 15.9625 15.9625 16.4870 16.4870 16.7226 16.7226 17.2396 17.2396 17.5002 17.5002 18.9222 18.9222 19.6206 19.6206 19.9280 19.9280 20.2164 20.2164 20.6236 20.6236 22.0301 22.0301 22.2103 22.2103 22.7072 22.7072 23.0430 23.0430 23.2707 23.2707 24.2877 24.2877 25.4672 25.4672 27.3700 27.3700 29.3964 29.3964 k = 0.1207 0.1207-0.0000 ( 2125 PWs) bands (ev): 4.1066 4.1066 4.1209 4.1209 5.6409 5.6409 6.4899 6.4899 6.5129 6.5129 6.5513 6.5513 9.9385 9.9385 15.2712 15.2712 15.3622 15.3622 15.6808 15.6808 16.0521 16.0521 16.5071 16.5071 16.7876 16.7876 17.2735 17.2735 17.5745 17.5745 18.9844 18.9844 19.6393 19.6393 19.9637 19.9637 20.2338 20.2338 20.5918 20.5918 22.0791 22.0791 22.2310 22.2310 22.7075 22.7075 23.0103 23.0103 23.2256 23.2256 24.2084 24.2084 25.3435 25.3435 27.2499 27.2499 29.3975 29.3975 k = 0.1121 0.1121-0.0000 ( 2125 PWs) bands (ev): 4.1045 4.1045 4.1172 4.1172 5.6007 5.6007 6.4862 6.4862 6.5062 6.5062 6.5476 6.5476 9.8996 9.8996 15.2915 15.2915 15.3811 15.3811 15.6550 15.6550 16.1342 16.1342 16.5216 16.5216 16.8601 16.8601 17.3116 17.3116 17.6502 17.6502 19.0488 19.0488 19.6537 19.6537 19.9977 19.9977 20.2513 20.2513 20.5587 20.5587 22.1178 22.1178 22.2560 22.2560 22.7057 22.7057 22.9794 22.9794 23.1763 23.1763 24.1464 24.1464 25.2255 25.2255 27.1201 27.1201 29.3977 29.3977 k = 0.1034 0.1034-0.0000 ( 2123 PWs) bands (ev): 4.1025 4.1025 4.1136 4.1136 5.5632 5.5632 6.4827 6.4827 6.4998 6.4998 6.5443 6.5443 9.8634 9.8634 15.3100 15.3100 15.3953 15.3953 15.6312 15.6312 16.2067 16.2067 16.5312 16.5312 16.9398 16.9398 17.3529 17.3529 17.7266 17.7266 19.1147 19.1147 19.6640 19.6640 20.0300 20.0300 20.2675 20.2675 20.5247 20.5247 22.1437 22.1437 22.2879 22.2879 22.6993 22.6993 22.9511 22.9511 23.1245 23.1245 24.1027 24.1027 25.1140 25.1140 26.9825 26.9825 29.3977 29.3977 k = 0.0948 0.0948-0.0000 ( 2123 PWs) bands (ev): 4.1007 4.1007 4.1102 4.1102 5.5285 5.5285 6.4793 6.4793 6.4938 6.4938 6.5411 6.5411 9.8299 9.8299 15.3267 15.3267 15.4052 15.4052 15.6100 15.6100 16.2692 16.2692 16.5368 16.5368 17.0254 17.0254 17.3963 17.3963 17.8034 17.8034 19.1810 19.1810 19.6709 19.6709 20.0603 20.0603 20.2814 20.2814 20.4903 20.4903 22.1581 22.1581 22.3256 22.3256 22.6847 22.6847 22.9267 22.9267 23.0735 23.0735 24.0771 24.0771 25.0092 25.0092 26.8388 26.8388 29.3978 29.3978 k = 0.0862 0.0862-0.0000 ( 2127 PWs) bands (ev): 4.0989 4.0989 4.1070 4.1070 5.4966 5.4966 6.4762 6.4762 6.4883 6.4883 6.5383 6.5383 9.7991 9.7991 15.3416 15.3416 15.4116 15.4116 15.5916 15.5916 16.3220 16.3220 16.5393 16.5393 17.1150 17.1150 17.4404 17.4404 17.8801 17.8801 19.2468 19.2468 19.6745 19.6745 20.0885 20.0885 20.2920 20.2920 20.4562 20.4562 22.1645 22.1645 22.3658 22.3658 22.6583 22.6583 22.9076 22.9076 23.0274 23.0274 24.0688 24.0688 24.9117 24.9117 26.6910 26.6910 29.3983 29.3983 k = 0.0776 0.0776-0.0000 ( 2121 PWs) bands (ev): 4.0974 4.0974 4.1040 4.1040 5.4677 5.4677 6.4733 6.4733 6.4831 6.4831 6.5357 6.5357 9.7712 9.7712 15.3545 15.3545 15.4151 15.4151 15.5763 15.5763 16.3663 16.3663 16.5397 16.5397 17.2059 17.2059 17.4839 17.4839 17.9559 17.9559 19.3110 19.3110 19.6755 19.6755 20.1147 20.1147 20.2984 20.2984 20.4230 20.4230 22.1661 22.1661 22.4054 22.4054 22.6178 22.6178 22.8950 22.8950 22.9894 22.9894 24.0762 24.0762 24.8220 24.8220 26.5411 26.5411 29.3992 29.3992 k = 0.0690 0.0690-0.0000 ( 2113 PWs) bands (ev): 4.0959 4.0959 4.1013 4.1013 5.4417 5.4417 6.4707 6.4707 6.4785 6.4785 6.5333 6.5333 9.7461 9.7461 15.3655 15.3655 15.4160 15.4160 15.5640 15.5640 16.4032 16.4032 16.5384 16.5384 17.2956 17.2956 17.5258 17.5258 18.0300 18.0300 19.3726 19.3726 19.6742 19.6742 20.1385 20.1385 20.3004 20.3004 20.3914 20.3914 22.1649 22.1649 22.4427 22.4427 22.5651 22.5651 22.8884 22.8884 22.9604 22.9604 24.0977 24.0977 24.7403 24.7403 26.3912 26.3912 29.4003 29.4003 k = 0.0603 0.0603-0.0000 ( 2111 PWs) bands (ev): 4.0947 4.0947 4.0988 4.0988 5.4186 5.4186 6.4683 6.4683 6.4743 6.4743 6.5313 6.5313 9.7238 9.7238 15.3746 15.3746 15.4150 15.4150 15.5548 15.5548 16.4337 16.4337 16.5363 16.5363 17.3814 17.3814 17.5650 17.5650 18.1014 18.1014 19.4303 19.4303 19.6711 19.6711 20.1600 20.1600 20.2981 20.2981 20.3621 20.3621 22.1621 22.1621 22.4750 22.4750 22.5065 22.5065 22.8865 22.8865 22.9393 22.9393 24.1310 24.1310 24.6671 24.6671 26.2434 26.2434 29.4017 29.4017 k = 0.0517 0.0517-0.0000 ( 2105 PWs) bands (ev): 4.0936 4.0936 4.0967 4.0967 5.3986 5.3986 6.4662 6.4662 6.4706 6.4706 6.5295 6.5295 9.7045 9.7045 15.3818 15.3818 15.4125 15.4125 15.5484 15.5484 16.4589 16.4589 16.5336 16.5336 17.4610 17.4610 17.6007 17.6007 18.1689 18.1689 19.4830 19.4830 19.6666 19.6666 20.1791 20.1791 20.2920 20.2920 20.3355 20.3355 22.1588 22.1588 22.4397 22.4397 22.5092 22.5092 22.8874 22.8874 22.9245 22.9245 24.1741 24.1741 24.6027 24.6027 26.1004 26.1004 29.4031 29.4032 k = 0.0431 0.0431-0.0000 ( 2105 PWs) bands (ev): 4.0926 4.0926 4.0948 4.0948 5.3816 5.3816 6.4644 6.4644 6.4674 6.4674 6.5280 6.5280 9.6881 9.6881 15.3874 15.3874 15.4092 15.4092 15.5441 15.5441 16.4792 16.4792 16.5308 16.5308 17.5322 17.5322 17.6322 17.6322 18.2309 18.2309 19.5297 19.5297 19.6613 19.6613 20.1955 20.1955 20.2833 20.2833 20.3122 20.3122 22.1556 22.1556 22.3793 22.3793 22.5347 22.5347 22.8899 22.8899 22.9145 22.9145 24.2242 24.2242 24.5474 24.5474 25.9651 25.9651 29.4046 29.4046 k = 0.0345 0.0345-0.0000 ( 2105 PWs) bands (ev): 4.0918 4.0918 4.0932 4.0932 5.3676 5.3676 6.4629 6.4629 6.4648 6.4648 6.5267 6.5267 9.6747 9.6747 15.3915 15.3915 15.4057 15.4057 15.5416 15.5416 16.4953 16.4953 16.5282 16.5282 17.5932 17.5932 17.6588 17.6588 18.2855 18.2855 19.5693 19.5693 19.6557 19.6557 20.2090 20.2090 20.2736 20.2736 20.2924 20.2924 22.1533 22.1533 22.3240 22.3240 22.5560 22.5560 22.8929 22.8929 22.9079 22.9079 24.2778 24.2778 24.5017 24.5017 25.8413 25.8413 29.4059 29.4059 k = 0.0259 0.0259-0.0000 ( 2105 PWs) bands (ev): 4.0912 4.0912 4.0920 4.0920 5.3568 5.3568 6.4617 6.4617 6.4628 6.4628 6.5258 6.5258 9.6642 9.6642 15.3944 15.3944 15.4025 15.4025 15.5403 15.5403 16.5075 16.5075 16.5259 16.5259 17.6424 17.6424 17.6800 17.6800 18.3309 18.3309 19.6009 19.6009 19.6505 19.6505 20.2193 20.2193 20.2647 20.2647 20.2763 20.2763 22.1524 22.1524 22.2768 22.2768 22.5727 22.5727 22.8958 22.8958 22.9039 22.9039 24.3304 24.3304 24.4657 24.4657 25.7338 25.7338 29.4071 29.4071 k = 0.0172 0.0172-0.0000 ( 2105 PWs) bands (ev): 4.0908 4.0908 4.0911 4.0911 5.3490 5.3490 6.4608 6.4608 6.4613 6.4613 6.5251 6.5251 9.6567 9.6567 15.3963 15.3963 15.3999 15.3999 15.5397 15.5397 16.5160 16.5160 16.5242 16.5242 17.6785 17.6785 17.6954 17.6954 18.3650 18.3650 19.6239 19.6239 19.6463 19.6463 20.2260 20.2260 20.2584 20.2584 20.2643 20.2643 22.1535 22.1535 22.2395 22.2395 22.5846 22.5846 22.8982 22.8982 22.9017 22.9017 24.3759 24.3759 24.4398 24.4398 25.6489 25.6489 29.4079 29.4080 k = 0.0086 0.0086-0.0000 ( 2103 PWs) bands (ev): 4.0905 4.0905 4.0906 4.0906 5.3443 5.3443 6.4603 6.4603 6.4605 6.4605 6.5247 6.5247 9.6522 9.6522 15.3974 15.3974 15.3983 15.3983 15.5394 15.5394 16.5211 16.5211 16.5232 16.5232 17.7005 17.7005 17.7048 17.7048 18.3863 18.3863 19.6378 19.6378 19.6435 19.6435 20.2290 20.2290 20.2551 20.2551 20.2568 20.2568 22.1565 22.1565 22.2141 22.2141 22.5917 22.5917 22.8998 22.8998 22.9006 22.9006 24.4076 24.4076 24.4242 24.4242 25.5935 25.5935 29.4088 29.4117 k = 0.0000 0.0000 0.0000 ( 2103 PWs) bands (ev): 4.0904 4.0904 4.0904 4.0904 5.3428 5.3428 6.4602 6.4602 6.4602 6.4602 6.5245 6.5245 9.6507 9.6507 15.3977 15.3977 15.3977 15.3977 15.5394 15.5394 16.5228 16.5228 16.5228 16.5228 17.7080 17.7080 17.7080 17.7080 18.3935 18.3935 19.6425 19.6425 19.6425 19.6425 20.2297 20.2297 20.2543 20.2543 20.2543 20.2543 22.1585 22.1585 22.2045 22.2045 22.5941 22.5941 22.9003 22.9003 22.9003 22.9003 24.4190 24.4190 24.4190 24.4190 25.5742 25.5742 29.4086 29.4086 k = 0.0000 0.0000 0.0000 ( 2103 PWs) bands (ev): 4.0904 4.0904 4.0904 4.0904 5.3428 5.3428 6.4602 6.4602 6.4602 6.4602 6.5245 6.5245 9.6507 9.6507 15.3977 15.3977 15.3977 15.3977 15.5394 15.5394 16.5228 16.5228 16.5228 16.5228 17.7080 17.7080 17.7080 17.7080 18.3935 18.3935 19.6425 19.6425 19.6425 19.6425 20.2297 20.2297 20.2543 20.2543 20.2543 20.2543 22.1585 22.1585 22.2045 22.2045 22.5941 22.5941 22.9003 22.9003 22.9003 22.9003 24.4190 24.4190 24.4190 24.4190 25.5742 25.5742 29.4086 29.4086 k = 0.0070 0.0070 0.0070 ( 2103 PWs) bands (ev): 4.0905 4.0905 4.0906 4.0906 5.3443 5.3443 6.4604 6.4604 6.4605 6.4605 6.5247 6.5247 9.6522 9.6522 15.3973 15.3973 15.3983 15.3983 15.5394 15.5394 16.5221 16.5221 16.5222 16.5222 17.7009 17.7009 17.7045 17.7045 18.3863 18.3863 19.6375 19.6375 19.6438 19.6438 20.2290 20.2290 20.2554 20.2554 20.2566 20.2566 22.1565 22.1565 22.2142 22.2142 22.5917 22.5917 22.8997 22.8997 22.9006 22.9006 24.4074 24.4074 24.4244 24.4244 25.5936 25.5936 29.4101 29.4101 k = 0.0141 0.0141 0.0141 ( 2106 PWs) bands (ev): 4.0908 4.0908 4.0911 4.0911 5.3490 5.3490 6.4609 6.4609 6.4613 6.4613 6.5251 6.5251 9.6567 9.6567 15.3959 15.3959 15.4002 15.4002 15.5397 15.5397 16.5200 16.5200 16.5202 16.5202 17.6798 17.6798 17.6941 17.6941 18.3649 18.3649 19.6227 19.6227 19.6474 19.6474 20.2258 20.2258 20.2586 20.2586 20.2643 20.2643 22.1533 22.1533 22.2397 22.2397 22.5846 22.5846 22.8982 22.8982 22.9018 22.9018 24.3751 24.3751 24.4405 24.4405 25.6490 25.6490 29.4146 29.4147 k = 0.0211 0.0211 0.0211 ( 2106 PWs) bands (ev): 4.0912 4.0912 4.0920 4.0920 5.3568 5.3568 6.4618 6.4618 6.4627 6.4627 6.5258 6.5258 9.6642 9.6642 15.3934 15.3934 15.4033 15.4033 15.5404 15.5404 16.5165 16.5165 16.5170 16.5170 17.6458 17.6458 17.6767 17.6767 18.3304 18.3304 19.5986 19.5986 19.6526 19.6526 20.2193 20.2193 20.2640 20.2640 20.2778 20.2778 22.1515 22.1515 22.2772 22.2772 22.5726 22.5726 22.8962 22.8962 22.9040 22.9040 24.3285 24.3285 24.4670 24.4670 25.7345 25.7345 29.4219 29.4222 k = 0.0282 0.0282 0.0282 ( 2106 PWs) bands (ev): 4.0918 4.0918 4.0932 4.0932 5.3677 5.3677 6.4630 6.4630 6.4647 6.4647 6.5267 6.5267 9.6747 9.6747 15.3893 15.3893 15.4075 15.4075 15.5420 15.5420 16.5113 16.5113 16.5123 16.5123 17.6001 17.6001 17.6522 17.6522 18.2842 18.2842 19.5661 19.5661 19.6583 19.6583 20.2098 20.2098 20.2714 20.2714 20.2959 20.2959 22.1511 22.1511 22.3246 22.3246 22.5561 22.5561 22.8942 22.8942 22.9078 22.9078 24.2746 24.2746 24.5033 24.5033 25.8432 25.8432 29.4321 29.4322 k = 0.0352 0.0352 0.0352 ( 2106 PWs) bands (ev): 4.0926 4.0926 4.0948 4.0948 5.3816 5.3816 6.4646 6.4646 6.4672 6.4672 6.5280 6.5280 9.6881 9.6881 15.3830 15.3830 15.4126 15.4126 15.5448 15.5448 16.5044 16.5044 16.5060 16.5060 17.5446 17.5446 17.6206 17.6206 18.2281 18.2281 19.5264 19.5264 19.6635 19.6635 20.1977 20.1977 20.2807 20.2807 20.3170 20.3170 22.1513 22.1513 22.3792 22.3792 22.5357 22.5357 22.8932 22.8932 22.9136 22.9136 24.2194 24.2194 24.5488 24.5488 25.9693 25.9693 29.4445 29.4455 k = 0.0423 0.0423 0.0423 ( 2106 PWs) bands (ev): 4.0935 4.0935 4.0967 4.0967 5.3987 5.3987 6.4665 6.4665 6.4702 6.4702 6.5295 6.5295 9.7046 9.7046 15.3743 15.3743 15.4184 15.4184 15.5491 15.5491 16.4955 16.4955 16.4980 16.4980 17.4810 17.4810 17.5818 17.5818 18.1639 18.1639 19.4809 19.4809 19.6670 19.6670 20.1835 20.1835 20.2915 20.2915 20.3397 20.3397 22.1511 22.1511 22.4340 22.4340 22.5163 22.5163 22.8939 22.8939 22.9221 22.9221 24.1677 24.1677 24.6028 24.6028 26.1084 26.1084 29.4594 29.4595 k = 0.0493 0.0493 0.0493 ( 2112 PWs) bands (ev): 4.0946 4.0946 4.0989 4.0989 5.4188 5.4188 6.4688 6.4688 6.4738 6.4738 6.5313 6.5313 9.7239 9.7239 15.3627 15.3627 15.4247 15.4247 15.5553 15.5553 16.4842 16.4842 16.4881 16.4881 17.4116 17.4116 17.5360 17.5360 18.0932 18.0932 19.4310 19.4310 19.6681 19.6681 20.1676 20.1676 20.3034 20.3034 20.3626 20.3626 22.1493 22.1493 22.4541 22.4541 22.5308 22.5308 22.8976 22.8976 22.9338 22.9338 24.1233 24.1233 24.6644 24.6644 26.2573 26.2573 29.4765 29.4766 k = 0.0563 0.0563 0.0563 ( 2118 PWs) bands (ev): 4.0959 4.0959 4.1013 4.1013 5.4418 5.4418 6.4713 6.4713 6.4778 6.4778 6.5334 6.5334 9.7462 9.7462 15.3480 15.3480 15.4311 15.4311 15.5634 15.5634 16.4701 16.4701 16.4758 16.4758 17.3384 17.3384 17.4834 17.4834 18.0177 18.0177 19.3781 19.3781 19.6663 19.6663 20.1504 20.1504 20.3157 20.3157 20.3843 20.3843 22.1441 22.1441 22.4299 22.4299 22.5867 22.5867 22.9055 22.9055 22.9492 22.9492 24.0893 24.0893 24.7329 24.7329 26.4137 26.4137 29.4954 29.4954 k = 0.0634 0.0634 0.0634 ( 2118 PWs) bands (ev): 4.0973 4.0973 4.1041 4.1041 5.4680 5.4680 6.4740 6.4740 6.4824 6.4824 6.5358 6.5358 9.7714 9.7714 15.3303 15.3303 15.4370 15.4370 15.5731 15.5731 16.4529 16.4529 16.4609 16.4609 17.2637 17.2637 17.4249 17.4249 17.9384 17.9384 19.3235 19.3235 19.6615 19.6615 20.1321 20.1321 20.3276 20.3276 20.4039 20.4039 22.1329 22.1329 22.3979 22.3979 22.6459 22.6459 22.9191 22.9191 22.9684 22.9684 24.0685 24.0685 24.8074 24.8074 26.5757 26.5757 29.5158 29.5158 k = 0.0704 0.0704 0.0704 ( 2130 PWs) bands (ev): 4.0988 4.0988 4.1071 4.1071 5.4971 5.4971 6.4770 6.4770 6.4873 6.4873 6.5385 6.5385 9.7995 9.7995 15.3095 15.3095 15.4419 15.4419 15.5841 15.5841 16.4320 16.4320 16.4429 16.4429 17.1897 17.1897 17.3613 17.3613 17.8563 17.8563 19.2682 19.2682 19.6537 19.6537 20.1133 20.1133 20.3385 20.3385 20.4206 20.4206 22.1129 22.1129 22.3669 22.3669 22.6988 22.6988 22.9395 22.9395 22.9917 22.9917 24.0630 24.0630 24.8874 24.8874 26.7419 26.7419 29.5370 29.5370 k = 0.0775 0.0775 0.0775 ( 2118 PWs) bands (ev): 4.1004 4.1004 4.1104 4.1104 5.5291 5.5291 6.4802 6.4802 6.4928 6.4928 6.5415 6.5415 9.8304 9.8304 15.2858 15.2858 15.4447 15.4447 15.5961 15.5961 16.4071 16.4071 16.4215 16.4215 17.1186 17.1186 17.2941 17.2941 17.7720 17.7720 19.2133 19.2133 19.6433 19.6433 20.0941 20.0941 20.3477 20.3477 20.4339 20.4339 22.0811 22.0811 22.3405 22.3405 22.7422 22.7422 22.9668 22.9668 23.0191 23.0191 24.0747 24.0747 24.9719 24.9719 26.9111 26.9111 29.5585 29.5585 k = 0.0845 0.0845 0.0845 ( 2121 PWs) bands (ev): 4.1022 4.1022 4.1138 4.1138 5.5641 5.5641 6.4835 6.4835 6.4986 6.4986 6.5448 6.5448 9.8641 9.8641 15.2591 15.2591 15.4444 15.4444 15.6082 15.6082 16.3782 16.3782 16.3961 16.3961 17.0525 17.0525 17.2250 17.2250 17.6858 17.6858 19.1595 19.1595 19.6304 19.6304 20.0749 20.0749 20.3547 20.3547 20.4435 20.4435 22.0365 22.0365 22.3201 22.3201 22.7762 22.7762 22.9990 22.9990 23.0503 23.0503 24.1046 24.1046 25.0604 25.0604 27.0823 27.0823 29.5797 29.5797 k = 0.0915 0.0915 0.0915 ( 2127 PWs) bands (ev): 4.1041 4.1041 4.1175 4.1175 5.6019 5.6019 6.4870 6.4870 6.5047 6.5047 6.5484 6.5484 9.9005 9.9005 15.2296 15.2296 15.4394 15.4394 15.6196 15.6196 16.3458 16.3458 16.3665 16.3665 16.9930 16.9930 17.1558 17.1558 17.5981 17.5981 19.1074 19.1074 19.6156 19.6156 20.0561 20.0561 20.3592 20.3592 20.4493 20.4493 21.9803 21.9803 22.3050 22.3050 22.8028 22.8028 23.0328 23.0328 23.0849 23.0849 24.1525 24.1525 25.1523 25.1523 27.2547 27.2547 29.5998 29.5998 k = 0.0986 0.0986 0.0986 ( 2127 PWs) bands (ev): 4.1060 4.1060 4.1213 4.1213 5.6424 5.6424 6.4906 6.4906 6.5113 6.5113 6.5524 6.5524 9.9397 9.9397 15.1973 15.1973 15.4280 15.4280 15.6292 15.6292 16.3115 16.3115 16.3327 16.3327 16.9410 16.9410 17.0884 17.0884 17.5091 17.5091 19.0575 19.0575 19.5993 19.5993 20.0378 20.0378 20.3610 20.3610 20.4511 20.4511 21.9146 21.9146 22.2933 22.2933 22.8243 22.8243 23.0657 23.0657 23.1227 23.1227 24.2174 24.2174 25.2468 25.2468 27.4274 27.4274 29.6181 29.6181 k = 0.1056 0.1056 0.1056 ( 2127 PWs) bands (ev): 4.1081 4.1081 4.1252 4.1252 5.6857 5.6857 6.4942 6.4942 6.5181 6.5181 6.5567 6.5567 9.9815 9.9815 15.1623 15.1623 15.4080 15.4080 15.6350 15.6350 16.2775 16.2775 16.2957 16.2957 16.8969 16.8969 17.0244 17.0244 17.4191 17.4191 19.0101 19.0101 19.5817 19.5817 20.0203 20.0203 20.3602 20.3602 20.4492 20.4492 21.8417 21.8417 22.2835 22.2835 22.8426 22.8426 23.0966 23.0966 23.1629 23.1629 24.2972 24.2972 25.3434 25.3434 27.5998 27.5998 29.6339 29.6339 k = 0.1127 0.1127 0.1127 ( 2124 PWs) bands (ev): 4.1102 4.1102 4.1293 4.1293 5.7317 5.7317 6.4979 6.4979 6.5252 6.5252 6.5615 6.5615 10.0258 10.0258 15.1246 15.1246 15.3776 15.3776 15.6347 15.6347 16.2467 16.2467 16.2573 16.2573 16.8604 16.8604 16.9649 16.9649 17.3286 17.3286 18.9654 18.9654 19.5633 19.5633 20.0040 20.0040 20.3567 20.3567 20.4437 20.4437 21.7631 21.7631 22.2746 22.2746 22.8585 22.8585 23.1256 23.1256 23.2049 23.2049 24.3893 24.3893 25.4412 25.4412 27.7711 27.7711 29.6464 29.6464 k = 0.1197 0.1197 0.1197 ( 2124 PWs) bands (ev): 4.1124 4.1124 4.1335 4.1335 5.7802 5.7802 6.5015 6.5015 6.5325 6.5325 6.5667 6.5667 10.0726 10.0726 15.0842 15.0842 15.3352 15.3352 15.6250 15.6250 16.2206 16.2206 16.2218 16.2218 16.8306 16.8306 16.9101 16.9101 17.2385 17.2385 18.9235 18.9235 19.5444 19.5444 19.9888 19.9888 20.3510 20.3510 20.4349 20.4349 21.6801 21.6801 22.2659 22.2659 22.8724 22.8724 23.1532 23.1532 23.2482 23.2482 24.4910 24.4910 25.5398 25.5398 27.9409 27.9409 29.6553 29.6553 k = 0.1268 0.1268 0.1268 ( 2127 PWs) bands (ev): 4.1146 4.1146 4.1377 4.1377 5.8312 5.8312 6.5051 6.5051 6.5400 6.5400 6.5723 6.5723 10.1219 10.1219 15.0411 15.0411 15.2800 15.2800 15.6024 15.6024 16.1898 16.1898 16.2047 16.2047 16.8067 16.8067 16.8591 16.8591 17.1501 17.1501 18.8844 18.8844 19.5251 19.5251 19.9751 19.9751 20.3431 20.3431 20.4230 20.4230 21.5937 21.5937 22.2573 22.2573 22.8848 22.8848 23.1800 23.1800 23.2921 23.2921 24.5999 24.5999 25.6382 25.6382 28.1085 28.1085 29.6603 29.6603 k = 0.1338 0.1338 0.1338 ( 2121 PWs) bands (ev): 4.1169 4.1169 4.1419 4.1419 5.8845 5.8845 6.5087 6.5087 6.5477 6.5477 6.5785 6.5785 10.1734 10.1734 14.9952 14.9952 15.2125 15.2125 15.5641 15.5641 16.1686 16.1686 16.1964 16.1964 16.7878 16.7878 16.8098 16.8098 17.0657 17.0657 18.8481 18.8481 19.5058 19.5058 19.9627 19.9627 20.3336 20.3336 20.4082 20.4082 21.5047 21.5047 22.2487 22.2487 22.8957 22.8957 23.2064 23.2064 23.3360 23.3360 24.7136 24.7136 25.7357 25.7357 28.2736 28.2736 29.6616 29.6616 k = 0.1408 0.1408 0.1408 ( 2127 PWs) bands (ev): 4.1191 4.1191 4.1461 4.1461 5.9400 5.9400 6.5121 6.5121 6.5554 6.5554 6.5854 6.5854 10.2271 10.2271 14.9466 14.9466 15.1339 15.1339 15.5093 15.5093 16.1590 16.1590 16.1965 16.1965 16.7587 16.7587 16.7731 16.7731 16.9886 16.9886 18.8147 18.8147 19.4864 19.4864 19.9519 19.9519 20.3229 20.3229 20.3909 20.3909 21.4137 21.4137 22.2402 22.2402 22.9054 22.9054 23.2326 23.2326 23.3792 23.3792 24.8301 24.8301 25.8314 25.8314 28.4356 28.4356 29.6597 29.6597 k = 0.1479 0.1479 0.1479 ( 2121 PWs) bands (ev): 4.1214 4.1214 4.1503 4.1503 5.9974 5.9974 6.5154 6.5154 6.5633 6.5633 6.5930 6.5930 10.2829 10.2829 14.8951 14.8951 15.0461 15.0461 15.4395 15.4395 16.1607 16.1607 16.2043 16.2043 16.7013 16.7013 16.7622 16.7622 16.9234 16.9234 18.7839 18.7839 19.4672 19.4672 19.9425 19.9425 20.3114 20.3114 20.3712 20.3712 21.3215 21.3215 22.2318 22.2318 22.9144 22.9144 23.2583 23.2583 23.4212 23.4212 24.9477 24.9477 25.9242 25.9242 28.5943 28.5943 29.6556 29.6556 k = 0.1549 0.1549 0.1549 ( 2124 PWs) bands (ev): 4.1237 4.1237 4.1545 4.1545 6.0565 6.0565 6.5186 6.5186 6.5712 6.5712 6.6017 6.6017 10.3406 10.3406 14.8405 14.8405 14.9507 14.9507 15.3576 15.3576 16.1719 16.1719 16.2184 16.2184 16.6344 16.6344 16.7546 16.7546 16.8729 16.8729 18.7557 18.7557 19.4482 19.4482 19.9345 19.9345 20.2995 20.2995 20.3494 20.3494 21.2285 21.2285 22.2237 22.2237 22.9228 22.9228 23.2835 23.2835 23.4615 23.4615 25.0647 25.0647 26.0130 26.0130 28.7492 28.7492 29.6506 29.6506 k = 0.1620 0.1620 0.1620 ( 2124 PWs) bands (ev): 4.1260 4.1260 4.1585 4.1585 6.1168 6.1168 6.5216 6.5216 6.5791 6.5791 6.6117 6.6117 10.4001 10.4001 14.7828 14.7828 14.8497 14.8497 15.2671 15.2671 16.1902 16.1902 16.2375 16.2375 16.5589 16.5589 16.7501 16.7501 16.8365 16.8365 18.7300 18.7300 19.4294 19.4294 19.9279 19.9279 20.2876 20.2876 20.3257 20.3257 21.1355 21.1355 22.2159 22.2159 22.9310 22.9310 23.3076 23.3076 23.4997 23.4997 25.1799 25.1799 26.0967 26.0967 28.9000 28.9000 29.6463 29.6463 k = 0.1690 0.1690 0.1690 ( 2124 PWs) bands (ev): 4.1283 4.1283 4.1625 4.1625 6.1777 6.1777 6.5244 6.5244 6.5869 6.5869 6.6235 6.6235 10.4611 10.4611 14.7217 14.7217 14.7444 14.7444 15.1707 15.1707 16.2137 16.2137 16.2605 16.2605 16.4782 16.4782 16.7488 16.7488 16.8110 16.8110 18.7066 18.7066 19.4107 19.4107 19.9223 19.9223 20.2763 20.2763 20.3002 20.3002 21.0431 21.0431 22.2085 22.2085 22.9393 22.9393 23.3304 23.3304 23.5353 23.5353 25.2918 25.2918 26.1741 26.1741 29.0464 29.0464 29.6447 29.6447 k = 0.1761 0.1761 0.1761 ( 2124 PWs) bands (ev): 4.1305 4.1305 4.1663 4.1663 6.2384 6.2384 6.5271 6.5271 6.5946 6.5946 6.6380 6.6380 10.5236 10.5236 14.6360 14.6360 14.6569 14.6569 15.0709 15.0709 16.2401 16.2401 16.2864 16.2864 16.3961 16.3961 16.7507 16.7507 16.7936 16.7936 18.6853 18.6853 19.3922 19.3922 19.9176 19.9176 20.2660 20.2660 20.2729 20.2729 20.9520 20.9520 22.2016 22.2016 22.9481 22.9481 23.3516 23.3516 23.5681 23.5681 25.3991 25.3991 26.2439 26.2439 29.1880 29.1880 29.6476 29.6476 k = 0.1831 0.1831 0.1831 ( 2121 PWs) bands (ev): 4.1326 4.1326 4.1700 4.1700 6.2976 6.2976 6.5296 6.5296 6.6022 6.6022 6.6562 6.6562 10.5872 10.5872 14.5255 14.5255 14.5881 14.5881 14.9698 14.9698 16.2631 16.2631 16.3141 16.3141 16.3198 16.3198 16.7560 16.7560 16.7827 16.7827 18.6661 18.6661 19.3737 19.3737 19.9135 19.9135 20.2437 20.2437 20.2570 20.2570 20.8632 20.8632 22.1952 22.1952 22.9574 22.9574 23.3708 23.3708 23.5978 23.5978 25.5008 25.5008 26.3048 26.3048 29.3245 29.3245 29.6572 29.6572 k = 0.1901 0.1901 0.1901 ( 2127 PWs) bands (ev): 4.1347 4.1347 4.1734 4.1734 6.3533 6.3533 6.5320 6.5320 6.6097 6.6097 6.6800 6.6800 10.6517 10.6517 14.4137 14.4137 14.5148 14.5148 14.8690 14.8690 16.2214 16.2214 16.3109 16.3109 16.3429 16.3429 16.7648 16.7648 16.7773 16.7773 18.6487 18.6487 19.3551 19.3551 19.9095 19.9095 20.2125 20.2125 20.2497 20.2497 20.7777 20.7777 22.1894 22.1894 22.9677 22.9677 23.3878 23.3878 23.6240 23.6240 25.5957 25.5957 26.3558 26.3558 29.4554 29.4554 29.6752 29.6752 k = 0.1972 0.1972 0.1972 ( 2121 PWs) bands (ev): 4.1368 4.1368 4.1767 4.1767 6.4033 6.4033 6.5343 6.5343 6.6169 6.6169 6.7115 6.7115 10.7169 10.7169 14.3013 14.3013 14.4367 14.4367 14.7700 14.7700 16.1448 16.1448 16.3398 16.3398 16.3719 16.3719 16.7772 16.7772 16.7775 16.7775 18.6330 18.6330 19.3364 19.3364 19.9047 19.9047 20.1791 20.1791 20.2445 20.2445 20.6968 20.6968 22.1841 22.1841 22.9789 22.9789 23.4022 23.4022 23.6466 23.6466 25.6829 25.6829 26.3960 26.3960 29.5798 29.5799 29.7032 29.7032 k = 0.2042 0.2042 0.2042 ( 2127 PWs) bands (ev): 4.1387 4.1387 4.1797 4.1797 6.4452 6.4452 6.5367 6.5367 6.6239 6.6239 6.7527 6.7527 10.7824 10.7824 14.1887 14.1887 14.3535 14.3535 14.6738 14.6738 16.0691 16.0691 16.3707 16.3707 16.4007 16.4007 16.7823 16.7823 16.7942 16.7942 18.6187 18.6187 19.3175 19.3175 19.8984 19.8984 20.1434 20.1434 20.2416 20.2416 20.6221 20.6221 22.1794 22.1794 22.9915 22.9915 23.4140 23.4140 23.6653 23.6653 25.7614 25.7614 26.4248 26.4248 29.6965 29.6965 29.7425 29.7425 k = 0.2113 0.2113 0.2113 ( 2127 PWs) bands (ev): 4.1405 4.1405 4.1825 4.1825 6.4776 6.4776 6.5397 6.5397 6.6306 6.6306 6.8045 6.8045 10.8479 10.8479 14.0764 14.0764 14.2653 14.2653 14.5812 14.5812 15.9967 15.9967 16.4012 16.4012 16.4288 16.4288 16.7926 16.7926 16.8153 16.8153 18.6056 18.6056 19.2984 19.2984 19.8887 19.8887 20.1056 20.1056 20.2412 20.2412 20.5551 20.5551 22.1752 22.1752 23.0054 23.0054 23.4228 23.4228 23.6801 23.6801 25.8306 25.8306 26.4421 26.4421 29.7939 29.7939 29.8030 29.8030 k = 0.2183 0.2183 0.2183 ( 2139 PWs) bands (ev): 4.1423 4.1423 4.1851 4.1851 6.5005 6.5005 6.5439 6.5439 6.6370 6.6370 6.8662 6.8662 10.9131 10.9131 13.9647 13.9647 14.1725 14.1725 14.4923 14.4923 15.9284 15.9284 16.4304 16.4304 16.4558 16.4558 16.8084 16.8084 16.8406 16.8406 18.5937 18.5937 19.2789 19.2789 19.8732 19.8732 20.0670 20.0670 20.2436 20.2436 20.4975 20.4975 22.1714 22.1714 23.0208 23.0208 23.4286 23.4286 23.6907 23.6907 25.8900 25.8900 26.4480 26.4480 29.8577 29.8577 29.8952 29.8952 k = 0.2254 0.2254 0.2254 ( 2139 PWs) bands (ev): 4.1439 4.1439 4.1873 4.1873 6.5146 6.5146 6.5504 6.5504 6.6431 6.6431 6.9359 6.9359 10.9776 10.9776 13.8540 13.8540 14.0759 14.0759 14.4069 14.4069 15.8649 15.8649 16.4580 16.4580 16.4818 16.4818 16.8294 16.8294 16.8700 16.8700 18.5826 18.5826 19.2592 19.2592 19.8483 19.8483 20.0304 20.0304 20.2489 20.2489 20.4504 20.4504 22.1680 22.1680 23.0380 23.0380 23.4313 23.4313 23.6971 23.6971 25.9391 25.9391 26.4431 26.4431 29.9341 29.9341 29.9662 29.9662 k = 0.2324 0.2324 0.2324 ( 2145 PWs) bands (ev): 4.1454 4.1454 4.1893 4.1893 6.5216 6.5216 6.5590 6.5590 6.6488 6.6488 7.0120 7.0120 11.0409 11.0409 13.7445 13.7445 13.9766 13.9766 14.3245 14.3245 15.8067 15.8067 16.4839 16.4839 16.5068 16.5068 16.8555 16.8555 16.9032 16.9032 18.5722 18.5722 19.2393 19.2393 19.8104 19.8104 19.9991 19.9991 20.2570 20.2570 20.4139 20.4139 22.1650 22.1650 23.0569 23.0569 23.4307 23.4307 23.6990 23.6990 25.9781 25.9781 26.4283 26.4283 30.0057 30.0057 30.0225 30.0225 k = 0.2394 0.2394 0.2394 ( 2151 PWs) bands (ev): 4.1468 4.1468 4.1910 4.1910 6.5246 6.5246 6.5680 6.5680 6.6542 6.6542 7.0929 7.0929 11.1026 11.1026 13.6364 13.6364 13.8755 13.8755 14.2446 14.2446 15.7542 15.7542 16.5085 16.5085 16.5312 16.5312 16.8863 16.8863 16.9398 16.9398 18.5624 18.5624 19.2193 19.2193 19.7594 19.7594 19.9742 19.9742 20.2679 20.2679 20.3878 20.3878 22.1622 22.1622 23.0776 23.0776 23.4269 23.4269 23.6965 23.6965 26.0071 26.0071 26.4046 26.4046 30.0015 30.0015 30.1224 30.1224 k = 0.2465 0.2465 0.2465 ( 2157 PWs) bands (ev): 4.1481 4.1481 4.1924 4.1924 6.5256 6.5256 6.5765 6.5765 6.6592 6.6592 7.1777 7.1777 11.1622 11.1622 13.5299 13.5299 13.7734 13.7734 14.1666 14.1666 15.7079 15.7079 16.5320 16.5320 16.5552 16.5552 16.9210 16.9210 16.9793 16.9793 18.5531 18.5531 19.1992 19.1992 19.6978 19.6978 19.9538 19.9538 20.2816 20.2816 20.3711 20.3711 22.1597 22.1597 23.1002 23.1002 23.4197 23.4197 23.6894 23.6894 26.0265 26.0265 26.3734 26.3734 29.9449 29.9449 30.2327 30.2327 k = 0.2535 0.2535 0.2535 ( 2157 PWs) bands (ev): 4.1492 4.1492 4.1934 4.1934 6.5254 6.5254 6.5841 6.5841 6.6637 6.6637 7.2656 7.2656 11.2193 11.2193 13.4252 13.4252 13.6713 13.6713 14.0903 14.0903 15.6683 15.6683 16.5551 16.5551 16.5794 16.5794 16.9590 16.9590 17.0210 17.0210 18.5440 18.5440 19.1792 19.1792 19.6294 19.6294 19.9358 19.9358 20.2981 20.2981 20.3627 20.3627 22.1572 22.1572 23.1245 23.1245 23.4094 23.4094 23.6776 23.6776 26.0370 26.0370 26.3359 26.3359 29.8389 29.8389 30.3525 30.3525 k = 0.2606 0.2606 0.2606 ( 2148 PWs) bands (ev): 4.1502 4.1502 4.1942 4.1942 6.5244 6.5244 6.5909 6.5909 6.6678 6.6678 7.3561 7.3561 11.2733 11.2733 13.3224 13.3224 13.5695 13.5695 14.0152 14.0152 15.6357 15.6357 16.5783 16.5783 16.6040 16.6040 16.9996 16.9996 17.0647 17.0647 18.5352 18.5352 19.1596 19.1596 19.5570 19.5570 19.9185 19.9185 20.3170 20.3170 20.3613 20.3613 22.1548 22.1548 23.1504 23.1504 23.3962 23.3962 23.6611 23.6611 26.0394 26.0394 26.2936 26.2936 29.6967 29.6967 30.4809 30.4809 k = 0.2676 0.2676 0.2676 ( 2142 PWs) bands (ev): 4.1510 4.1510 4.1946 4.1946 6.5228 6.5228 6.5970 6.5970 6.6716 6.6716 7.4489 7.4489 11.3239 11.3239 13.2217 13.2217 13.4688 13.4688 13.9413 13.9413 15.6106 15.6106 16.6021 16.6021 16.6293 16.6293 17.0421 17.0421 17.1096 17.1096 18.5265 18.5265 19.1403 19.1403 19.4824 19.4824 19.9011 19.9011 20.3383 20.3383 20.3659 20.3659 22.1524 22.1524 23.1773 23.1773 23.3806 23.3806 23.6398 23.6398 26.0346 26.0346 26.2476 26.2476 29.5313 29.5313 30.6168 30.6168 k = 0.2746 0.2746 0.2746 ( 2142 PWs) bands (ev): 4.1517 4.1517 4.1947 4.1947 6.5207 6.5207 6.6025 6.6025 6.6748 6.6748 7.5437 7.5437 11.3704 11.3704 13.1232 13.1232 13.3693 13.3693 13.8683 13.8683 15.5935 15.5935 16.6269 16.6269 16.6556 16.6556 17.0859 17.0859 17.1554 17.1554 18.5179 18.5179 19.1217 19.1217 19.4071 19.4071 19.8834 19.8834 20.3616 20.3616 20.3754 20.3754 22.1498 22.1498 23.2036 23.2036 23.3642 23.3642 23.6138 23.6138 26.0235 26.0235 26.1991 26.1991 29.3518 29.3518 30.7593 30.7593 k = 0.2817 0.2817 0.2817 ( 2136 PWs) bands (ev): 4.1523 4.1523 4.1946 4.1946 6.5181 6.5181 6.6075 6.6075 6.6777 6.6777 7.6402 7.6402 11.4126 11.4126 13.0270 13.0270 13.2715 13.2715 13.7960 13.7960 15.5848 15.5848 16.6530 16.6530 16.6831 16.6831 17.1304 17.1304 17.2017 17.2017 18.5094 18.5094 19.1040 19.1040 19.3320 19.3320 19.8652 19.8652 20.3868 20.3868 20.3890 20.3890 22.1470 22.1470 23.2255 23.2255 23.3510 23.3510 23.5831 23.5831 26.0072 26.0072 26.1493 26.1493 29.1637 29.1637 30.9074 30.9074 k = 0.2887 0.2887 0.2887 ( 2136 PWs) bands (ev): 4.1527 4.1527 4.1941 4.1941 6.5151 6.5151 6.6121 6.6121 6.6801 6.6801 7.7383 7.7383 11.4501 11.4501 12.9332 12.9332 13.1755 13.1755 13.7244 13.7244 15.5849 15.5849 16.6807 16.6807 16.7120 16.7120 17.1752 17.1752 17.2482 17.2482 18.5010 18.5010 19.0872 19.0872 19.2578 19.2578 19.8465 19.8465 20.4059 20.4059 20.4135 20.4135 22.1439 22.1439 23.2342 23.2342 23.3498 23.3498 23.5478 23.5478 25.9867 25.9867 26.0989 26.0989 28.9703 28.9703 31.0604 31.0604 k = 0.2958 0.2958 0.2958 ( 2136 PWs) bands (ev): 4.1530 4.1530 4.1933 4.1933 6.5117 6.5117 6.6162 6.6162 6.6820 6.6820 7.8378 7.8378 11.4827 11.4827 12.8418 12.8418 13.0816 13.0816 13.6532 13.6532 15.5939 15.5939 16.7102 16.7102 16.7423 16.7423 17.2198 17.2198 17.2945 17.2945 18.4928 18.4928 19.0716 19.0716 19.1849 19.1849 19.8273 19.8273 20.4255 20.4255 20.4415 20.4415 22.1405 22.1405 23.2227 23.2227 23.3674 23.3674 23.5079 23.5079 25.9629 25.9629 26.0490 26.0490 28.7738 28.7738 31.2120 31.2121 k = 0.3028 0.3028 0.3028 ( 2145 PWs) bands (ev): 4.1532 4.1532 4.1923 4.1923 6.5080 6.5080 6.6201 6.6201 6.6836 6.6836 7.9386 7.9386 11.5101 11.5101 12.7530 12.7530 12.9900 12.9900 13.5823 13.5823 15.6122 15.6122 16.7415 16.7415 16.7741 16.7741 17.2638 17.2638 17.3404 17.3404 18.4848 18.4848 19.0574 19.0574 19.1140 19.1140 19.8077 19.8077 20.4472 20.4472 20.4705 20.4705 22.1366 22.1366 23.1965 23.1965 23.3986 23.3986 23.4639 23.4639 25.9367 25.9367 26.0000 26.0000 28.5755 28.5755 31.2917 31.2917 k = 0.3099 0.3099 0.3099 ( 2157 PWs) bands (ev): 4.1532 4.1532 4.1910 4.1910 6.5039 6.5039 6.6236 6.6236 6.6848 6.6848 8.0405 8.0405 11.5323 11.5323 12.6669 12.6669 12.9007 12.9007 13.5115 13.5115 15.6399 15.6399 16.7748 16.7748 16.8073 16.8073 17.3068 17.3068 17.3857 17.3857 18.4771 18.4771 19.0447 19.0447 19.0452 19.0452 19.7878 19.7878 20.4704 20.4704 20.5001 20.5001 22.1322 22.1322 23.1624 23.1624 23.4158 23.4158 23.4367 23.4367 25.9089 25.9089 25.9526 25.9526 28.3767 28.3767 31.3687 31.3687 k = 0.3169 0.3169 0.3169 ( 2151 PWs) bands (ev): 4.1531 4.1531 4.1894 4.1894 6.4995 6.4995 6.6269 6.6269 6.6855 6.6855 8.1434 8.1434 11.5494 11.5494 12.5834 12.5834 12.8140 12.8140 13.4407 13.4407 15.6771 15.6771 16.8101 16.8101 16.8420 16.8420 17.3484 17.3484 17.4303 17.4303 18.4700 18.4700 18.9789 18.9789 19.0336 19.0336 19.7674 19.7674 20.4947 20.4947 20.5300 20.5300 22.1272 22.1272 23.1232 23.1232 23.3641 23.3641 23.4788 23.4788 25.8801 25.8801 25.9072 25.9072 28.1782 28.1782 31.4428 31.4428 k = 0.3239 0.3239 0.3239 ( 2148 PWs) bands (ev): 4.1529 4.1529 4.1876 4.1876 6.4948 6.4948 6.6299 6.6299 6.6859 6.6859 8.2473 8.2473 11.5615 11.5615 12.5027 12.5027 12.7299 12.7299 13.3696 13.3696 15.7235 15.7235 16.8474 16.8474 16.8780 16.8780 17.3883 17.3883 17.4740 17.4740 18.4634 18.4634 18.9155 18.9155 19.0242 19.0242 19.7465 19.7465 20.5197 20.5197 20.5598 20.5598 22.1215 22.1215 23.0807 23.0807 23.3092 23.3092 23.5234 23.5234 25.8509 25.8509 25.8641 25.8641 27.9808 27.9808 31.5134 31.5134 k = 0.3310 0.3310 0.3310 ( 2148 PWs) bands (ev): 4.1525 4.1525 4.1856 4.1856 6.4899 6.4899 6.6326 6.6326 6.6860 6.6860 8.3519 8.3519 11.5689 11.5689 12.4248 12.4248 12.6485 12.6485 13.2982 13.2982 15.7790 15.7790 16.8866 16.8866 16.9151 16.9151 17.4260 17.4260 17.5169 17.5169 18.4575 18.4575 18.8552 18.8552 19.0166 19.0166 19.7251 19.7251 20.5449 20.5449 20.5892 20.5892 22.1150 22.1150 23.0356 23.0356 23.2516 23.2516 23.5698 23.5698 25.8220 25.8220 25.8235 25.8235 27.7851 27.7851 31.5802 31.5802 k = 0.3380 0.3380 0.3380 ( 2148 PWs) bands (ev): 4.1521 4.1521 4.1834 4.1834 6.4848 6.4848 6.6352 6.6352 6.6857 6.6857 8.4572 8.4572 11.5719 11.5719 12.3498 12.3498 12.5699 12.5699 13.2262 13.2262 15.8433 15.8433 16.9277 16.9277 16.9532 16.9532 17.4614 17.4614 17.5588 17.5588 18.4525 18.4525 18.7983 18.7983 19.0108 19.0108 19.7031 19.7031 20.5699 20.5699 20.6177 20.6177 22.1076 22.1076 22.9886 22.9886 23.1918 23.1918 23.6174 23.6174 25.7856 25.7856 25.7935 25.7935 27.5918 27.5918 31.6425 31.6425 k = 0.3451 0.3451 0.3451 ( 2148 PWs) bands (ev): 4.1515 4.1515 4.1811 4.1811 6.4795 6.4795 6.6375 6.6375 6.6852 6.6852 8.5631 8.5631 11.5708 11.5708 12.2778 12.2778 12.4941 12.4941 13.1536 13.1536 15.9159 15.9159 16.9705 16.9705 16.9920 16.9920 17.4940 17.4940 17.6000 17.6000 18.4483 18.4483 18.7451 18.7451 19.0067 19.0067 19.6804 19.6804 20.5942 20.5942 20.6450 20.6450 22.0993 22.0993 22.9404 22.9404 23.1304 23.1304 23.6656 23.6656 25.7503 25.7503 25.7660 25.7660 27.4017 27.4017 31.6996 31.6996 k = 0.3521 0.3521 0.3521 ( 2148 PWs) bands (ev): 4.1509 4.1509 4.1786 4.1786 6.4740 6.4740 6.6396 6.6396 6.6844 6.6844 8.6694 8.6694 11.5663 11.5663 12.2086 12.2086 12.4213 12.4213 13.0802 13.0802 15.9964 15.9964 17.0148 17.0148 17.0311 17.0311 17.5236 17.5236 17.6406 17.6406 18.4450 18.4450 18.6961 18.6961 19.0043 19.0043 19.6569 19.6569 20.6176 20.6176 20.6706 20.6706 22.0898 22.0898 22.8917 22.8917 23.0681 23.0681 23.7139 23.7139 25.7178 25.7178 25.7395 25.7395 27.2157 27.2157 31.7508 31.7508 k = 0.3592 0.3592 0.3592 ( 2154 PWs) bands (ev): 4.1502 4.1502 4.1760 4.1760 6.4685 6.4685 6.6416 6.6416 6.6833 6.6833 8.7760 8.7760 11.5586 11.5586 12.1425 12.1425 12.3514 12.3514 13.0060 13.0060 16.0840 16.0840 17.0604 17.0604 17.0702 17.0702 17.5501 17.5501 17.6808 17.6808 18.4422 18.4422 18.6518 18.6518 19.0033 19.0033 19.6324 19.6324 20.6394 20.6394 20.6941 20.6941 22.0791 22.0791 22.8430 22.8430 23.0056 23.0056 23.7617 23.7617 25.6878 25.6878 25.7144 25.7144 27.0343 27.0343 31.7955 31.7955 k = 0.3662 0.3662 0.3662 ( 2142 PWs) bands (ev): 4.1494 4.1494 4.1733 4.1733 6.4629 6.4629 6.6434 6.6434 6.6820 6.6820 8.8828 8.8828 11.5483 11.5483 12.0794 12.0794 12.2845 12.2845 12.9309 12.9309 16.1782 16.1782 17.1071 17.1071 17.1089 17.1089 17.5734 17.5734 17.7210 17.7210 18.4394 18.4394 18.6132 18.6132 19.0036 19.0036 19.6067 19.6067 20.6595 20.6595 20.7152 20.7152 22.0670 22.0670 22.7951 22.7951 22.9435 22.9435 23.8082 23.8082 25.6604 25.6604 25.6906 25.6906 26.8588 26.8588 31.8327 31.8327 k = 0.3732 0.3732 0.3732 ( 2145 PWs) bands (ev): 4.1486 4.1486 4.1705 4.1705 6.4573 6.4573 6.6451 6.6451 6.6806 6.6806 8.9897 8.9897 11.5359 11.5359 12.0194 12.0194 12.2206 12.2206 12.8550 12.8550 16.2782 16.2782 17.1467 17.1467 17.1544 17.1544 17.5935 17.5935 17.7616 17.7616 18.4353 18.4353 18.5814 18.5814 19.0049 19.0049 19.5798 19.5798 20.6773 20.6773 20.7334 20.7334 22.0535 22.0535 22.7486 22.7486 22.8827 22.8827 23.8527 23.8527 25.6355 25.6355 25.6682 25.6682 26.6900 26.6900 31.8618 31.8618 k = 0.3803 0.3803 0.3803 ( 2151 PWs) bands (ev): 4.1477 4.1477 4.1677 4.1677 6.4517 6.4517 6.6466 6.6466 6.6790 6.6790 9.0965 9.0965 11.5218 11.5218 11.9624 11.9624 12.1597 12.1597 12.7783 12.7783 16.3833 16.3833 17.1832 17.1832 17.2020 17.2020 17.6108 17.6108 17.8029 17.8029 18.4282 18.4282 18.5584 18.5584 19.0070 19.0070 19.5514 19.5514 20.6926 20.6926 20.7483 20.7483 22.0384 22.0384 22.7041 22.7041 22.8238 22.8238 23.8944 23.8944 25.6128 25.6128 25.6473 25.6473 26.5291 26.5291 31.8821 31.8821 k = 0.3873 0.3873 0.3873 ( 2164 PWs) bands (ev): 4.1468 4.1468 4.1649 4.1649 6.4462 6.4462 6.6479 6.6479 6.6773 6.6773 9.2030 9.2030 11.5065 11.5065 11.9086 11.9086 12.1017 12.1017 12.7008 12.7008 16.4926 16.4926 17.2179 17.2179 17.2493 17.2493 17.6257 17.6257 17.8455 17.8455 18.4168 18.4168 18.5452 18.5452 19.0093 19.0093 19.5213 19.5213 20.7051 20.7051 20.7597 20.7597 22.0219 22.0219 22.6622 22.6622 22.7674 22.7674 23.9323 23.9323 25.5923 25.5923 25.6277 25.6277 26.3774 26.3774 31.8931 31.8931 k = 0.3944 0.3944 0.3944 ( 2158 PWs) bands (ev): 4.1459 4.1459 4.1621 4.1621 6.4408 6.4408 6.6492 6.6492 6.6755 6.6755 9.3092 9.3092 11.4904 11.4904 11.8580 11.8580 12.0468 12.0468 12.6228 12.6228 16.6052 16.6052 17.2504 17.2504 17.2956 17.2956 17.6390 17.6390 17.8896 17.8896 18.4016 18.4016 18.5412 18.5412 19.0115 19.0115 19.4892 19.4892 20.7146 20.7146 20.7673 20.7673 22.0038 22.0038 22.6232 22.6232 22.7143 22.7143 23.9654 23.9654 25.5739 25.5739 25.6094 25.6094 26.2363 26.2363 31.8948 31.8948 k = 0.4014 0.4014 0.4014 ( 2158 PWs) bands (ev): 4.1450 4.1450 4.1593 4.1593 6.4355 6.4355 6.6503 6.6503 6.6737 6.6737 9.4147 9.4147 11.4737 11.4737 11.8105 11.8105 11.9948 11.9948 12.5444 12.5444 16.7201 16.7201 17.2804 17.2804 17.3400 17.3400 17.6519 17.6519 17.9357 17.9357 18.3848 18.3848 18.5440 18.5440 19.0132 19.0132 19.4551 19.4551 20.7208 20.7208 20.7710 20.7710 21.9842 21.9842 22.5876 22.5876 22.6649 22.6649 23.9926 23.9926 25.5573 25.5573 25.5922 25.5922 26.1072 26.1072 31.8872 31.8872 k = 0.4085 0.4085 0.4085 ( 2164 PWs) bands (ev): 4.1440 4.1440 4.1566 4.1566 6.4304 6.4304 6.6513 6.6513 6.6718 6.6718 9.5194 9.5194 11.4570 11.4570 11.7662 11.7662 11.9456 11.9456 12.4658 12.4658 16.8361 16.8361 17.3075 17.3075 17.3815 17.3815 17.6658 17.6658 17.9839 17.9839 18.3681 18.3681 18.5513 18.5513 19.0139 19.0139 19.4186 19.4186 20.7239 20.7239 20.7707 20.7707 21.9635 21.9635 22.5554 22.5554 22.6197 22.6197 24.0128 24.0128 25.5425 25.5425 25.5758 25.5758 25.9916 25.9916 31.8709 31.8709 k = 0.4155 0.4155 0.4155 ( 2164 PWs) bands (ev): 4.1431 4.1431 4.1540 4.1540 6.4255 6.4255 6.6522 6.6522 6.6699 6.6699 9.6231 9.6231 11.4404 11.4404 11.7251 11.7251 11.8992 11.8992 12.3874 12.3874 16.9515 16.9515 17.3318 17.3318 17.4190 17.4190 17.6826 17.6826 18.0342 18.0342 18.3530 18.3530 18.5614 18.5614 19.0131 19.0131 19.3795 19.3795 20.7238 20.7238 20.7667 20.7667 21.9418 21.9418 22.5268 22.5268 22.5790 22.5790 24.0253 24.0253 25.5294 25.5294 25.5601 25.5601 25.8909 25.8909 31.8469 31.8469 k = 0.4225 0.4225 0.4225 ( 2170 PWs) bands (ev): 4.1422 4.1422 4.1515 4.1515 6.4208 6.4208 6.6530 6.6530 6.6681 6.6681 9.7254 9.7254 11.4243 11.4243 11.6873 11.6873 11.8552 11.8552 12.3097 12.3097 17.0645 17.0645 17.3531 17.3531 17.4519 17.4519 17.7043 17.7043 18.0866 18.0866 18.3399 18.3399 18.5732 18.5732 19.0103 19.0103 19.3375 19.3375 20.7207 20.7207 20.7592 20.7592 21.9194 21.9194 22.5016 22.5016 22.5429 22.5429 24.0296 24.0296 25.5177 25.5177 25.5448 25.5448 25.8060 25.8060 31.8165 31.8165 k = 0.4296 0.4296 0.4296 ( 2164 PWs) bands (ev): 4.1413 4.1413 4.1491 4.1491 6.4165 6.4165 6.6537 6.6537 6.6664 6.6664 9.8259 9.8259 11.4089 11.4089 11.6527 11.6527 11.8135 11.8135 12.2334 12.2334 17.1716 17.1716 17.3716 17.3716 17.4808 17.4808 17.7325 17.7325 18.1408 18.1408 18.3294 18.3294 18.5858 18.5858 19.0050 19.0050 19.2926 19.2926 20.7151 20.7151 20.7487 20.7487 21.8968 21.8968 22.4798 22.4798 22.5114 22.5114 24.0255 24.0255 25.5074 25.5074 25.5296 25.5296 25.7374 25.7374 31.7814 31.7814 k = 0.4366 0.4366 0.4366 ( 2164 PWs) bands (ev): 4.1405 4.1405 4.1469 4.1469 6.4124 6.4124 6.6543 6.6543 6.6647 6.6647 9.9242 9.9242 11.3944 11.3944 11.6214 11.6214 11.7735 11.7735 12.1592 12.1592 17.2676 17.2676 17.3875 17.3875 17.5090 17.5090 17.7684 17.7684 18.1965 18.1965 18.3215 18.3215 18.5985 18.5985 18.9970 18.9970 19.2445 19.2445 20.7073 20.7073 20.7358 20.7358 21.8742 21.8742 22.4610 22.4610 22.4844 22.4844 24.0139 24.0139 25.4985 25.4985 25.5146 25.5146 25.6845 25.6845 31.7431 31.7431 k = 0.4437 0.4437 0.4437 ( 2173 PWs) bands (ev): 4.1398 4.1398 4.1448 4.1448 6.4087 6.4087 6.6548 6.6548 6.6631 6.6631 10.0196 10.0196 11.3809 11.3809 11.5933 11.5933 11.7348 11.7348 12.0883 12.0883 17.3440 17.3440 17.4009 17.4009 17.5427 17.5427 17.8132 17.8132 18.2533 18.2533 18.3160 18.3160 18.6108 18.6108 18.9856 18.9856 19.1932 19.1932 20.6978 20.6978 20.7212 20.7212 21.8522 21.8522 22.4449 22.4449 22.4617 22.4617 23.9960 23.9960 25.4907 25.4907 25.5004 25.5004 25.6456 25.6456 31.7034 31.7034 k = 0.4507 0.4507 0.4507 ( 2179 PWs) bands (ev): 4.1391 4.1391 4.1430 4.1430 6.4054 6.4054 6.6553 6.6553 6.6617 6.6617 10.1114 10.1114 11.3686 11.3686 11.5685 11.5685 11.6966 11.6966 12.0222 12.0222 17.3938 17.3938 17.4120 17.4120 17.5865 17.5865 17.8684 17.8684 18.3105 18.3105 18.3129 18.3129 18.6221 18.6221 18.9709 18.9709 19.1389 19.1389 20.6873 20.6873 20.7057 20.7057 21.8311 21.8311 22.4315 22.4315 22.4430 22.4430 23.9737 23.9737 25.4840 25.4840 25.4879 25.4879 25.6179 25.6179 31.6640 31.6640 k = 0.4577 0.4577 0.4577 ( 2182 PWs) bands (ev): 4.1385 4.1385 4.1414 4.1414 6.4024 6.4024 6.6557 6.6557 6.6604 6.6604 10.1984 10.1984 11.3577 11.3577 11.5470 11.5470 11.6583 11.6583 11.9627 11.9627 17.4202 17.4202 17.4212 17.4212 17.6349 17.6349 17.9350 17.9350 18.3119 18.3119 18.3675 18.3675 18.6319 18.6319 18.9525 18.9525 19.0820 19.0820 20.6764 20.6764 20.6902 20.6902 21.8114 21.8114 22.4203 22.4203 22.4278 22.4278 23.9489 23.9489 25.4781 25.4781 25.4784 25.4784 25.5986 25.5986 31.6265 31.6265 k = 0.4648 0.4648 0.4648 ( 2176 PWs) bands (ev): 4.1379 4.1379 4.1399 4.1399 6.3999 6.3999 6.6560 6.6560 6.6593 6.6593 10.2792 10.2792 11.3484 11.3484 11.5288 11.5288 11.6197 11.6197 11.9115 11.9115 17.4285 17.4285 17.4331 17.4331 17.6782 17.6782 18.0116 18.0116 18.3125 18.3125 18.4235 18.4235 18.6393 18.6393 18.9306 18.9306 19.0233 19.0233 20.6657 20.6657 20.6755 20.6755 21.7935 21.7935 22.4111 22.4111 22.4158 22.4158 23.9239 23.9239 25.4713 25.4713 25.4737 25.4737 25.5850 25.5850 31.5923 31.5923 k = 0.4718 0.4718 0.4718 ( 2176 PWs) bands (ev): 4.1375 4.1375 4.1388 4.1388 6.3978 6.3978 6.6562 6.6562 6.6584 6.6584 10.3519 10.3519 11.3406 11.3406 11.5139 11.5139 11.5813 11.5813 11.8698 11.8698 17.4342 17.4342 17.4393 17.4393 17.7122 17.7122 18.0939 18.0939 18.3143 18.3143 18.4773 18.4773 18.6433 18.6433 18.9056 18.9056 18.9646 18.9646 20.6560 20.6560 20.6623 20.6623 21.7781 21.7781 22.4039 22.4039 22.4065 22.4065 23.9007 23.9007 25.4670 25.4670 25.4700 25.4700 25.5756 25.5756 31.5626 31.5626 k = 0.4789 0.4789 0.4789 ( 2176 PWs) bands (ev): 4.1371 4.1371 4.1379 4.1379 6.3961 6.3961 6.6564 6.6564 6.6576 6.6576 10.4139 10.4139 11.3344 11.3344 11.5023 11.5023 11.5452 11.5452 11.8382 11.8382 17.4385 17.4385 17.4421 17.4421 17.7370 17.7370 18.1760 18.1760 18.3166 18.3166 18.5273 18.5273 18.6424 18.6424 18.8785 18.8785 18.9092 18.9092 20.6478 20.6478 20.6513 20.6513 21.7654 21.7654 22.3984 22.3984 22.3997 22.3997 23.8808 23.8808 25.4648 25.4648 25.4671 25.4671 25.5692 25.5692 31.5384 31.5384 k = 0.4859 0.4859 0.4859 ( 2176 PWs) bands (ev): 4.1369 4.1369 4.1372 4.1372 6.3950 6.3950 6.6566 6.6566 6.6571 6.6571 10.4619 10.4619 11.3299 11.3299 11.4940 11.4940 11.5150 11.5150 11.8164 11.8164 17.4415 17.4415 17.4433 17.4433 17.7538 17.7538 18.2503 18.2503 18.3191 18.3191 18.5709 18.5709 18.6349 18.6349 18.8517 18.8517 18.8625 18.8625 20.6415 20.6415 20.6431 20.6431 21.7560 21.7560 22.3945 22.3945 22.3951 22.3951 23.8658 23.8658 25.4639 25.4639 25.4651 25.4651 25.5650 25.5650 31.5205 31.5205 k = 0.4930 0.4930 0.4930 ( 2176 PWs) bands (ev): 4.1367 4.1367 4.1368 4.1368 6.3942 6.3942 6.6566 6.6566 6.6568 6.6568 10.4926 10.4926 11.3272 11.3272 11.4890 11.4890 11.4946 11.4946 11.8036 11.8036 17.4433 17.4433 17.4437 17.4437 17.7635 17.7635 18.3038 18.3038 18.3236 18.3236 18.6030 18.6030 18.6224 18.6224 18.8298 18.8298 18.8315 18.8315 20.6376 20.6376 20.6380 20.6380 21.7503 21.7503 22.3922 22.3922 22.3924 22.3924 23.8564 23.8564 25.4635 25.4635 25.4639 25.4639 25.5626 25.5626 31.5096 31.5096 k = 0.5000 0.5000 0.5000 ( 2176 PWs) bands (ev): 4.1367 4.1367 4.1367 4.1367 6.3940 6.3940 6.6567 6.6567 6.6567 6.6567 10.5032 10.5032 11.3263 11.3263 11.4874 11.4874 11.4874 11.4874 11.7994 11.7994 17.4439 17.4439 17.4439 17.4439 17.7666 17.7666 18.3157 18.3157 18.3345 18.3345 18.6154 18.6154 18.6154 18.6154 18.8209 18.8209 18.8209 18.8209 20.6363 20.6363 20.6363 20.6363 21.7483 21.7483 22.3915 22.3915 22.3915 22.3915 23.8532 23.8532 25.4635 25.4635 25.4635 25.4635 25.5619 25.5619 31.5059 31.5059 k = 0.5000 0.5000 0.5000 ( 2176 PWs) bands (ev): 4.1367 4.1367 4.1367 4.1367 6.3940 6.3940 6.6567 6.6567 6.6567 6.6567 10.5032 10.5032 11.3263 11.3263 11.4874 11.4874 11.4874 11.4874 11.7994 11.7994 17.4439 17.4439 17.4439 17.4439 17.7666 17.7666 18.3157 18.3157 18.3345 18.3345 18.6154 18.6154 18.6154 18.6154 18.8209 18.8209 18.8209 18.8209 20.6363 20.6363 20.6363 20.6363 21.7483 21.7483 22.3915 22.3915 22.3915 22.3915 23.8532 23.8532 25.4635 25.4635 25.4635 25.4635 25.5619 25.5619 31.5059 31.5059 k = 0.4914 0.5000 0.4914 ( 2176 PWs) bands (ev): 4.1367 4.1367 4.1368 4.1368 6.3942 6.3942 6.6566 6.6566 6.6568 6.6568 10.4926 10.4926 11.3272 11.3272 11.4887 11.4887 11.4949 11.4949 11.8036 11.8036 17.4433 17.4433 17.4437 17.4437 17.7635 17.7635 18.3037 18.3037 18.3237 18.3237 18.6025 18.6025 18.6229 18.6229 18.8283 18.8283 18.8330 18.8330 20.6370 20.6370 20.6386 20.6386 21.7503 21.7503 22.3913 22.3913 22.3933 22.3933 23.8564 23.8564 25.4628 25.4628 25.4646 25.4646 25.5626 25.5626 31.5096 31.5096 k = 0.4828 0.5000 0.4828 ( 2176 PWs) bands (ev): 4.1369 4.1369 4.1372 4.1372 6.3950 6.3950 6.6566 6.6566 6.6571 6.6571 10.4620 10.4620 11.3299 11.3299 11.4927 11.4927 11.5159 11.5159 11.8165 11.8165 17.4416 17.4416 17.4433 17.4433 17.7538 17.7538 18.2502 18.2502 18.3195 18.3195 18.5710 18.5710 18.6342 18.6342 18.8508 18.8508 18.8637 18.8637 20.6390 20.6390 20.6456 20.6456 21.7560 21.7560 22.3909 22.3909 22.3986 22.3986 23.8658 23.8658 25.4607 25.4607 25.4679 25.4679 25.5653 25.5653 31.5205 31.5205 k = 0.4741 0.5000 0.4741 ( 2176 PWs) bands (ev): 4.1372 4.1372 4.1378 4.1378 6.3961 6.3961 6.6564 6.6564 6.6577 6.6577 10.4144 10.4144 11.3344 11.3344 11.4993 11.4993 11.5469 11.5469 11.8389 11.8389 17.4385 17.4385 17.4422 17.4422 17.7371 17.7371 18.1759 18.1759 18.3171 18.3171 18.5314 18.5314 18.6353 18.6353 18.8837 18.8837 18.9065 18.9065 20.6424 20.6424 20.6567 20.6567 21.7655 21.7655 22.3903 22.3903 22.4077 22.4077 23.8812 23.8812 25.4573 25.4573 25.4728 25.4728 25.5708 25.5708 31.5383 31.5383 k = 0.4655 0.5000 0.4655 ( 2176 PWs) bands (ev): 4.1376 4.1376 4.1387 4.1387 6.3978 6.3978 6.6562 6.6562 6.6584 6.6584 10.3532 10.3532 11.3405 11.3405 11.5083 11.5083 11.5834 11.5834 11.8719 11.8719 17.4335 17.4335 17.4402 17.4402 17.7127 17.7127 18.0926 18.0926 18.3145 18.3145 18.4904 18.4904 18.6241 18.6241 18.9184 18.9184 18.9583 18.9583 20.6468 20.6468 20.6714 20.6714 21.7782 21.7782 22.3895 22.3895 22.4206 22.4206 23.9017 23.9017 25.4528 25.4528 25.4783 25.4783 25.5810 25.5810 31.5624 31.5624 k = 0.4569 0.5000 0.4569 ( 2180 PWs) bands (ev): 4.1381 4.1381 4.1398 4.1398 6.3999 6.3999 6.6559 6.6559 6.6594 6.6594 10.2818 10.2818 11.3482 11.3482 11.5195 11.5195 11.6218 11.6218 11.9161 11.9161 17.4256 17.4256 17.4370 17.4370 17.6797 17.6797 18.0064 18.0064 18.3114 18.3114 18.4515 18.4515 18.6035 18.6035 18.9509 18.9509 19.0144 19.0144 20.6522 20.6522 20.6889 20.6889 21.7937 21.7937 22.3886 22.3886 22.4375 22.4375 23.9266 23.9266 25.4472 25.4472 25.4832 25.4832 25.5980 25.5980 31.5918 31.5918 k = 0.4483 0.5000 0.4483 ( 2182 PWs) bands (ev): 4.1387 4.1387 4.1412 4.1412 6.4024 6.4024 6.6556 6.6556 6.6605 6.6605 10.2028 10.2028 11.3572 11.3572 11.5327 11.5327 11.6601 11.6601 11.9709 11.9709 17.4126 17.4126 17.4321 17.4321 17.6377 17.6377 17.9219 17.9219 18.3082 18.3082 18.4166 18.4166 18.5767 18.5767 18.9800 18.9800 19.0707 19.0707 20.6582 20.6582 20.7083 20.7083 21.8116 21.8116 22.3879 22.3879 22.4588 22.4588 23.9546 23.9546 25.4409 25.4409 25.4868 25.4868 25.6240 25.6240 31.6255 31.6255 k = 0.4397 0.5000 0.4397 ( 2174 PWs) bands (ev): 4.1394 4.1394 4.1427 4.1427 6.4054 6.4054 6.6552 6.6552 6.6619 6.6619 10.1184 10.1184 11.3674 11.3674 11.5477 11.5477 11.6983 11.6983 12.0349 12.0349 17.3911 17.3911 17.4253 17.4253 17.5870 17.5870 17.8439 17.8439 18.3048 18.3048 18.3863 18.3863 18.5462 18.5462 19.0054 19.0054 19.1244 19.1244 20.6648 20.6648 20.7287 20.7287 21.8312 21.8312 22.3875 22.3875 22.4846 22.4846 23.9842 23.9842 25.4339 25.4339 25.4892 25.4892 25.6606 25.6606 31.6622 31.6622 k = 0.4310 0.5000 0.4310 ( 2166 PWs) bands (ev): 4.1402 4.1402 4.1445 4.1445 6.4087 6.4087 6.6548 6.6548 6.6634 6.6634 10.0299 10.0299 11.3786 11.3786 11.5644 11.5644 11.7371 11.7371 12.1059 12.1059 17.3565 17.3565 17.4147 17.4147 17.5302 17.5302 17.7775 17.7775 18.3004 18.3004 18.3609 18.3609 18.5148 18.5148 19.0271 19.0271 19.1741 19.1741 20.6717 20.6717 20.7492 20.7492 21.8517 21.8517 22.3877 22.3877 22.5154 22.5154 24.0141 24.0141 25.4263 25.4263 25.4910 25.4910 25.7088 25.7088 31.7002 31.7002 k = 0.4224 0.5000 0.4224 ( 2162 PWs) bands (ev): 4.1411 4.1411 4.1464 4.1464 6.4124 6.4124 6.6542 6.6542 6.6650 6.6650 9.9385 9.9385 11.3904 11.3904 11.5827 11.5827 11.7777 11.7777 12.1821 12.1821 17.3053 17.3053 17.3933 17.3933 17.4757 17.4757 17.7264 17.7264 18.2912 18.2912 18.3424 18.3424 18.4853 18.4853 19.0453 19.0453 19.2189 19.2189 20.6787 20.6787 20.7689 20.7689 21.8724 21.8724 22.3887 22.3887 22.5515 22.5515 24.0425 24.0425 25.4181 25.4181 25.4935 25.4935 25.7694 25.7694 31.7377 31.7377 k = 0.4138 0.5000 0.4138 ( 2162 PWs) bands (ev): 4.1420 4.1420 4.1485 4.1485 6.4165 6.4165 6.6536 6.6536 6.6668 6.6668 9.8450 9.8450 11.4024 11.4024 11.6027 11.6027 11.8207 11.8207 12.2617 12.2617 17.2369 17.2369 17.3456 17.3456 17.4412 17.4412 17.6908 17.6908 18.2704 18.2704 18.3347 18.3347 18.4609 18.4609 19.0601 19.0601 19.2583 19.2583 20.6857 20.6857 20.7872 20.7872 21.8925 21.8925 22.3908 22.3908 22.5933 22.5933 24.0681 24.0681 25.4090 25.4090 25.4978 25.4978 25.8431 25.8431 31.7728 31.7728 k = 0.4052 0.5000 0.4052 ( 2166 PWs) bands (ev): 4.1431 4.1431 4.1508 4.1508 6.4208 6.4208 6.6530 6.6530 6.6687 6.6687 9.7501 9.7501 11.4144 11.4144 11.6245 11.6245 11.8669 11.8669 12.3436 12.3436 17.1549 17.1549 17.2749 17.2749 17.4245 17.4245 17.6675 17.6675 18.2381 18.2381 18.3353 18.3353 18.4441 18.4441 19.0720 19.0720 19.2921 19.2921 20.6924 20.6924 20.8033 20.8033 21.9113 21.9113 22.3944 22.3944 22.6410 22.6410 24.0897 24.0897 25.3990 25.3990 25.5050 25.5050 25.9304 25.9304 31.8032 31.8032 k = 0.3966 0.5000 0.3966 ( 2166 PWs) bands (ev): 4.1442 4.1442 4.1531 4.1531 6.4255 6.4255 6.6522 6.6522 6.6708 6.6708 9.6542 9.6542 11.4261 11.4261 11.6483 11.6483 11.9168 11.9168 12.4268 12.4268 17.0640 17.0640 17.1943 17.1943 17.4136 17.4136 17.6522 17.6522 18.1982 18.1982 18.3387 18.3387 18.4368 18.4368 19.0814 19.0814 19.3202 19.3202 20.6988 20.6988 20.8168 20.8168 21.9278 21.9278 22.3997 22.3997 22.6948 22.6948 24.1063 24.1063 25.3879 25.3879 25.5162 25.5162 26.0315 26.0315 31.8269 31.8269 k = 0.3879 0.5000 0.3879 ( 2158 PWs) bands (ev): 4.1454 4.1454 4.1556 4.1556 6.4305 6.4305 6.6514 6.6514 6.6729 6.6729 9.5577 9.5577 11.4370 11.4370 11.6743 11.6743 11.9704 11.9704 12.5107 12.5107 16.9683 16.9683 17.1086 17.1086 17.4044 17.4044 17.6412 17.6412 18.1533 18.1533 18.3414 18.3414 18.4398 18.4398 19.0888 19.0888 19.3428 19.3428 20.7046 20.7046 20.8274 20.8274 21.9416 21.9416 22.4069 22.4069 22.7548 22.7548 24.1175 24.1175 25.3755 25.3755 25.5323 25.5323 26.1462 26.1462 31.8418 31.8418 k = 0.3793 0.5000 0.3793 ( 2162 PWs) bands (ev): 4.1466 4.1466 4.1581 4.1581 6.4356 6.4356 6.6505 6.6505 6.6750 6.6750 9.4610 9.4610 11.4469 11.4469 11.7027 11.7027 12.0280 12.0280 12.5948 12.5948 16.8705 16.8705 17.0198 17.0198 17.3957 17.3957 17.6320 17.6320 18.1056 18.1056 18.3419 18.3419 18.4524 18.4524 19.0948 19.0948 19.3602 19.3602 20.7096 20.7096 20.8348 20.8348 21.9521 21.9521 22.4160 22.4160 22.8210 22.8210 24.1231 24.1231 25.3620 25.3620 25.5540 25.5540 26.2740 26.2740 31.8463 31.8463 k = 0.3707 0.5000 0.3707 ( 2162 PWs) bands (ev): 4.1479 4.1479 4.1608 4.1608 6.4410 6.4410 6.6495 6.6495 6.6772 6.6772 9.3642 9.3642 11.4555 11.4555 11.7334 11.7334 12.0894 12.0894 12.6786 12.6786 16.7726 16.7726 16.9292 16.9292 17.3872 17.3872 17.6224 17.6224 18.0567 18.0567 18.3409 18.3409 18.4726 18.4726 19.0999 19.0999 19.3728 19.3728 20.7137 20.7137 20.8390 20.8390 21.9589 21.9589 22.4271 22.4271 22.8932 22.8932 24.1235 24.1235 25.3472 25.3472 25.5820 25.5820 26.4141 26.4141 31.8392 31.8392 k = 0.3621 0.5000 0.3621 ( 2156 PWs) bands (ev): 4.1492 4.1492 4.1634 4.1634 6.4465 6.4465 6.6485 6.6485 6.6794 6.6794 9.2677 9.2677 11.4628 11.4628 11.7667 11.7667 12.1548 12.1548 12.7619 12.7619 16.6757 16.6757 16.8377 16.8377 17.3787 17.3787 17.6109 17.6109 18.0081 18.0081 18.3391 18.3391 18.4982 18.4982 19.1049 19.1049 19.3812 19.3812 20.7168 20.7168 20.8399 20.8399 21.9621 21.9621 22.4399 22.4399 22.9711 22.9711 24.1190 24.1190 25.3312 25.3312 25.6169 25.6169 26.5657 26.5657 31.8196 31.8196 k = 0.3534 0.5000 0.3534 ( 2154 PWs) bands (ev): 4.1505 4.1505 4.1661 4.1661 6.4522 6.4522 6.6473 6.6473 6.6816 6.6816 9.1716 9.1716 11.4686 11.4686 11.8025 11.8025 12.2239 12.2239 12.8444 12.8444 16.5806 16.5806 16.7460 16.7460 17.3700 17.3700 17.5961 17.5961 17.9613 17.9613 18.3371 18.3371 18.5274 18.5274 19.1105 19.1105 19.3858 19.3858 20.7188 20.7188 20.8376 20.8376 21.9617 21.9617 22.4540 22.4540 23.0543 23.0543 24.1102 24.1102 25.3142 25.3142 25.6590 25.6590 26.7276 26.7276 31.7876 31.7876 k = 0.3448 0.5000 0.3448 ( 2154 PWs) bands (ev): 4.1519 4.1519 4.1688 4.1688 6.4580 6.4580 6.6461 6.6461 6.6837 6.6837 9.0761 9.0761 11.4727 11.4727 11.8406 11.8406 12.2968 12.2968 12.9259 12.9259 16.4878 16.4878 16.6550 16.6550 17.3611 17.3611 17.5765 17.5765 17.9174 17.9174 18.3352 18.3352 18.5590 18.5590 19.1178 19.1178 19.3873 19.3873 20.7195 20.7195 20.8323 20.8323 21.9579 21.9579 22.4690 22.4690 23.1423 23.1423 24.0980 24.0980 25.2961 25.2961 25.7088 25.7088 26.8988 26.8988 31.7435 31.7435 k = 0.3362 0.5000 0.3362 ( 2158 PWs) bands (ev): 4.1532 4.1532 4.1714 4.1714 6.4638 6.4638 6.6448 6.6448 6.6858 6.6858 8.9813 8.9813 11.4750 11.4750 11.8810 11.8810 12.3733 12.3733 13.0063 13.0063 16.3977 16.3977 16.5655 16.5655 17.3519 17.3519 17.5513 17.5513 17.8775 17.8775 18.3336 18.3336 18.5916 18.5916 19.1275 19.1275 19.3864 19.3864 20.7188 20.7188 20.8242 20.8242 21.9510 21.9510 22.4845 22.4845 23.2344 23.2344 24.0832 24.0832 25.2769 25.2769 25.7664 25.7664 27.0781 27.0781 31.6881 31.6881 k = 0.3276 0.5000 0.3276 ( 2144 PWs) bands (ev): 4.1546 4.1546 4.1740 4.1740 6.4697 6.4697 6.6434 6.6434 6.6877 6.6877 8.8875 8.8875 11.4757 11.4757 11.9237 11.9237 12.4532 12.4532 13.0855 13.0855 16.3101 16.3101 16.4785 16.4785 17.3422 17.3422 17.5199 17.5199 17.8422 17.8422 18.3321 18.3321 18.6241 18.6241 19.1408 19.1408 19.3838 19.3838 20.7168 20.7168 20.8135 20.8135 21.9414 21.9414 22.5001 22.5001 23.3296 23.3296 24.0668 24.0668 25.2568 25.2568 25.8321 25.8321 27.2646 27.2646 31.6225 31.6225 k = 0.3190 0.5000 0.3190 ( 2144 PWs) bands (ev): 4.1559 4.1559 4.1765 4.1765 6.4756 6.4756 6.6419 6.6419 6.6896 6.6896 8.7946 8.7946 11.4745 11.4745 11.9684 11.9684 12.5364 12.5364 13.1633 13.1633 16.2247 16.2247 16.3950 16.3950 17.3318 17.3318 17.4826 17.4826 17.8116 17.8116 18.3309 18.3309 18.6556 18.6556 19.1581 19.1581 19.3805 19.3805 20.7134 20.7134 20.8004 20.8004 21.9293 21.9293 22.5156 22.5156 23.4268 23.4268 24.0503 24.0503 25.2357 25.2357 25.9057 25.9057 27.4571 27.4571 31.5478 31.5478 k = 0.3103 0.5000 0.3103 ( 2148 PWs) bands (ev): 4.1572 4.1572 4.1790 4.1790 6.4815 6.4815 6.6404 6.6404 6.6912 6.6912 8.7028 8.7028 11.4714 11.4714 12.0151 12.0151 12.6228 12.6228 13.2397 13.2397 16.1409 16.1409 16.3163 16.3163 17.3203 17.3203 17.4403 17.4403 17.7850 17.7850 18.3297 18.3297 18.6851 18.6851 19.1797 19.1797 19.3777 19.3777 20.7085 20.7085 20.7852 20.7852 21.9152 21.9152 22.5307 22.5307 23.5238 23.5238 24.0361 24.0361 25.2138 25.2138 25.9873 25.9873 27.6547 27.6547 31.4649 31.4649 k = 0.3017 0.5000 0.3017 ( 2148 PWs) bands (ev): 4.1585 4.1585 4.1814 4.1814 6.4874 6.4874 6.6387 6.6387 6.6927 6.6927 8.6123 8.6123 11.4663 11.4663 12.0636 12.0636 12.7121 12.7121 13.3147 13.3147 16.0581 16.0581 16.2435 16.2435 17.3069 17.3069 17.3948 17.3948 17.7617 17.7617 18.3285 18.3285 18.7122 18.7122 19.2044 19.2044 19.3775 19.3775 20.7021 20.7021 20.7684 20.7684 21.8992 21.8992 22.5452 22.5452 23.6166 23.6166 24.0280 24.0280 25.1909 25.1909 26.0766 26.0766 27.8565 27.8565 31.3747 31.3747 k = 0.2931 0.5000 0.2931 ( 2148 PWs) bands (ev): 4.1598 4.1598 4.1837 4.1837 6.4933 6.4933 6.6370 6.6370 6.6940 6.6940 8.5231 8.5231 11.4594 11.4594 12.1137 12.1137 12.8042 12.8042 13.3881 13.3881 15.9758 15.9758 16.1777 16.1777 17.2897 17.2897 17.3487 17.3487 17.7410 17.7410 18.3272 18.3272 18.7367 18.7367 19.2292 19.2292 19.3835 19.3835 20.6939 20.6939 20.7502 20.7502 21.8816 21.8816 22.5592 22.5592 23.6974 23.6974 24.0341 24.0341 25.1671 25.1671 26.1733 26.1733 28.0614 28.0614 31.2763 31.2763 k = 0.2845 0.5000 0.2845 ( 2150 PWs) bands (ev): 4.1609 4.1609 4.1858 4.1858 6.4990 6.4990 6.6351 6.6351 6.6951 6.6951 8.4353 8.4353 11.4506 11.4506 12.1654 12.1654 12.8988 12.8988 13.4601 13.4601 15.8937 15.8937 16.1194 16.1194 17.2628 17.2628 17.3085 17.3085 17.7224 17.7224 18.3257 18.3257 18.7590 18.7590 19.2489 19.2489 19.4009 19.4009 20.6836 20.6836 20.7314 20.7314 21.8628 21.8628 22.5727 22.5727 23.7537 23.7537 24.0668 24.0668 25.1426 25.1426 26.2772 26.2772 28.2683 28.2683 31.1620 31.1620 k = 0.2759 0.5000 0.2759 ( 2150 PWs) bands (ev): 4.1620 4.1620 4.1879 4.1879 6.5047 6.5047 6.6332 6.6332 6.6959 6.6959 8.3490 8.3490 11.4399 11.4399 12.2185 12.2185 12.9956 12.9956 13.5306 13.5306 15.8121 15.8121 16.0688 16.0688 17.2205 17.2205 17.2803 17.2803 17.7057 17.7057 18.3239 18.3239 18.7795 18.7795 19.2596 19.2596 19.4331 19.4331 20.6707 20.6707 20.7128 20.7128 21.8429 21.8429 22.5859 22.5859 23.7788 23.7788 24.1327 24.1327 25.1173 25.1173 26.3879 26.3879 28.4761 28.4761 31.0067 31.0067 k = 0.2672 0.5000 0.2672 ( 2158 PWs) bands (ev): 4.1630 4.1630 4.1898 4.1898 6.5102 6.5102 6.6312 6.6312 6.6965 6.6965 8.2644 8.2644 11.4273 11.4273 12.2728 12.2728 13.0944 13.0944 13.5996 13.5996 15.7311 15.7311 16.0260 16.0260 17.1699 17.1699 17.2571 17.2571 17.6910 17.6910 18.3218 18.3218 18.7988 18.7988 19.2622 19.2622 19.4785 19.4785 20.6546 20.6546 20.6953 20.6953 21.8222 21.8222 22.5988 22.5988 23.7806 23.7806 24.2237 24.2237 25.0915 25.0915 26.5048 26.5048 28.6834 28.6834 30.8240 30.8240 k = 0.2586 0.5000 0.2586 ( 2158 PWs) bands (ev): 4.1639 4.1639 4.1916 4.1916 6.5156 6.5156 6.6292 6.6292 6.6968 6.6968 8.1815 8.1815 11.4130 11.4130 12.3282 12.3282 13.1947 13.1947 13.6672 13.6672 15.6514 15.6514 15.9905 15.9905 17.1168 17.1168 17.2333 17.2333 17.6785 17.6785 18.3192 18.3192 18.8175 18.8175 19.2602 19.2602 19.5330 19.5330 20.6350 20.6350 20.6796 20.6796 21.8011 21.8011 22.6117 22.6117 23.7705 23.7705 24.3280 24.3280 25.0656 25.0656 26.6275 26.6275 28.8884 28.8884 30.6376 30.6376 k = 0.2500 0.5000 0.2500 ( 2134 PWs) bands (ev): 4.1648 4.1648 4.1933 4.1933 6.5209 6.5209 6.6270 6.6270 6.6969 6.6969 8.1004 8.1004 11.3971 11.3971 12.3846 12.3846 13.2960 13.2960 13.7337 13.7337 15.5736 15.5736 15.9621 15.9621 17.0631 17.0631 17.2070 17.2070 17.6685 17.6685 18.3162 18.3162 18.8361 18.8361 19.2561 19.2561 19.5932 19.5932 20.6126 20.6126 20.6654 20.6654 21.7797 21.7797 22.6248 22.6248 23.7551 23.7551 24.4381 24.4381 25.0405 25.0405 26.7554 26.7554 29.0887 29.0887 30.4535 30.4535 k = 0.2414 0.5000 0.2414 ( 2138 PWs) bands (ev): 4.1655 4.1655 4.1949 4.1949 6.5261 6.5261 6.6248 6.6248 6.6967 6.6967 8.0210 8.0210 11.3796 11.3796 12.4417 12.4417 13.3978 13.3978 13.7992 13.7992 15.4980 15.4980 15.9402 15.9402 17.0094 17.0094 17.1776 17.1776 17.6613 17.6613 18.3128 18.3128 18.8547 18.8547 19.2515 19.2515 19.6565 19.6565 20.5885 20.5885 20.6521 20.6521 21.7585 21.7585 22.6383 22.6383 23.7376 23.7376 24.5482 24.5482 25.0183 25.0183 26.8879 26.8879 29.2807 29.2807 30.2740 30.2740 k = 0.2328 0.5000 0.2328 ( 2142 PWs) bands (ev): 4.1660 4.1660 4.1963 4.1963 6.5310 6.5310 6.6225 6.6225 6.6963 6.6963 7.9437 7.9437 11.3607 11.3607 12.4994 12.4994 13.4991 13.4991 13.8641 13.8641 15.4253 15.4253 15.9245 15.9245 16.9561 16.9561 17.1448 17.1448 17.6569 17.6569 18.3090 18.3090 18.8734 18.8734 19.2475 19.2475 19.7210 19.7210 20.5634 20.5634 20.6396 20.6396 21.7377 21.7377 22.6523 22.6523 23.7199 23.7199 24.6509 24.6509 25.0047 25.0047 27.0244 27.0244 29.4580 29.4580 30.1019 30.1019 k = 0.2241 0.5000 0.2241 ( 2138 PWs) bands (ev): 4.1665 4.1665 4.1976 4.1976 6.5358 6.5358 6.6201 6.6201 6.6956 6.6956 7.8683 7.8683 11.3406 11.3406 12.5576 12.5576 13.5987 13.5987 13.9291 13.9291 15.3561 15.3561 15.9146 15.9146 16.9037 16.9037 17.1086 17.1086 17.6555 17.6555 18.3047 18.3047 18.8922 18.8922 19.2449 19.2449 19.7848 19.7848 20.5380 20.5380 20.6282 20.6282 21.7178 21.7178 22.6671 22.6671 23.7031 23.7031 24.7304 24.7304 25.0142 25.0142 27.1642 27.1642 29.6056 29.6056 29.9457 29.9457 k = 0.2155 0.5000 0.2155 ( 2142 PWs) bands (ev): 4.1668 4.1668 4.1989 4.1989 6.5404 6.5404 6.6177 6.6177 6.6947 6.6947 7.7950 7.7950 11.3194 11.3194 12.6162 12.6162 13.6948 13.6948 13.9954 13.9954 15.2910 15.2910 15.9099 15.9099 16.8522 16.8522 17.0691 17.0691 17.6570 17.6570 18.3000 18.3000 18.9108 18.9108 19.2444 19.2444 19.8459 19.8459 20.5125 20.5125 20.6184 20.6184 21.6992 21.6992 22.6826 22.6826 23.6877 23.6877 24.7654 24.7654 25.0672 25.0672 27.3065 27.3065 29.6594 29.6594 29.8589 29.8589 k = 0.2069 0.5000 0.2069 ( 2138 PWs) bands (ev): 4.1669 4.1669 4.2000 4.2000 6.5448 6.5448 6.6152 6.6152 6.6935 6.6935 7.7239 7.7239 11.2974 11.2974 12.6748 12.6748 13.7851 13.7851 14.0646 14.0646 15.2308 15.2308 15.9098 15.9098 16.8019 16.8019 17.0267 17.0267 17.6612 17.6612 18.2950 18.2950 18.9290 18.9290 19.2465 19.2465 19.9022 19.9022 20.4874 20.4874 20.6112 20.6112 21.6826 21.6826 22.6992 22.6992 23.6744 23.6744 24.7592 24.7592 25.1595 25.1595 27.4504 27.4504 29.5557 29.5557 29.8899 29.8899 k = 0.1983 0.5000 0.1983 ( 2138 PWs) bands (ev): 4.1669 4.1669 4.2010 4.2010 6.5491 6.5491 6.6126 6.6126 6.6922 6.6922 7.6550 7.6550 11.2747 11.2747 12.7335 12.7335 13.8664 13.8664 14.1388 14.1388 15.1763 15.1763 15.9139 15.9139 16.7529 16.7529 16.9817 16.9817 17.6681 17.6681 18.2898 18.2898 18.9464 18.9464 19.2518 19.2518 19.9513 19.9513 20.4627 20.4627 20.6078 20.6078 21.6687 21.6687 22.7166 22.7166 23.6634 23.6634 24.7314 24.7314 25.2708 25.2708 27.5947 27.5947 29.4154 29.4154 29.9049 29.9049 k = 0.1897 0.5000 0.1897 ( 2134 PWs) bands (ev): 4.1668 4.1668 4.2020 4.2020 6.5531 6.5531 6.6099 6.6099 6.6908 6.6908 7.5883 7.5883 11.2515 11.2515 12.7920 12.7920 13.9362 13.9362 14.2196 14.2196 15.1286 15.1286 15.9216 15.9216 16.7054 16.7054 16.9344 16.9344 17.6775 17.6775 18.2843 18.2843 18.9628 18.9628 19.2606 19.2606 19.9910 19.9910 20.4384 20.4384 20.6096 20.6096 21.6581 21.6581 22.7351 22.7351 23.6552 23.6552 24.6925 24.6925 25.3899 25.3899 27.7380 27.7380 29.2756 29.2756 29.8748 29.8748 k = 0.1810 0.5000 0.1810 ( 2134 PWs) bands (ev): 4.1665 4.1665 4.2029 4.2029 6.5570 6.5570 6.6072 6.6072 6.6893 6.6893 7.5239 7.5239 11.2280 11.2280 12.8501 12.8501 13.9931 13.9931 14.3070 14.3070 15.0888 15.0888 15.9323 15.9323 16.6594 16.6594 16.8850 16.8850 17.6890 17.6890 18.2788 18.2788 18.9781 18.9781 19.2733 19.2733 20.0196 20.0196 20.4143 20.4143 20.6176 20.6176 21.6520 21.6520 22.7546 22.7546 23.6500 23.6500 24.6468 24.6468 25.5119 25.5119 27.8786 27.8786 29.1423 29.1423 29.8175 29.8175 k = 0.1724 0.5000 0.1724 ( 2142 PWs) bands (ev): 4.1660 4.1660 4.2037 4.2037 6.5606 6.5606 6.6045 6.6045 6.6877 6.6877 7.4619 7.4619 11.2044 11.2044 12.9076 12.9076 14.0373 14.0373 14.3993 14.3993 15.0581 15.0581 15.9453 15.9453 16.6149 16.6149 16.8341 16.8341 17.7025 17.7025 18.2731 18.2731 18.9922 18.9922 19.2898 19.2898 20.0365 20.0365 20.3898 20.3898 20.6316 20.6316 21.6511 21.6511 22.7749 22.7749 23.6479 23.6479 24.5957 24.5957 25.6347 25.6347 28.0138 28.0138 29.0176 29.0176 29.7502 29.7502 k = 0.1638 0.5000 0.1638 ( 2142 PWs) bands (ev): 4.1655 4.1655 4.2045 4.2045 6.5641 6.5641 6.6017 6.6017 6.6860 6.6860 7.4023 7.4023 11.1810 11.1810 12.9645 12.9645 14.0697 14.0697 14.4940 14.4940 15.0381 15.0381 15.9601 15.9601 16.5723 16.5723 16.7817 16.7817 17.7179 17.7179 18.2675 18.2675 19.0057 19.0057 19.3098 19.3098 20.0423 20.0423 20.3645 20.3645 20.6505 20.6505 21.6567 21.6567 22.7960 22.7960 23.6490 23.6490 24.5401 24.5401 25.7567 25.7567 28.1402 28.1402 28.9028 28.9028 29.6827 29.6827 k = 0.1552 0.5000 0.1552 ( 2134 PWs) bands (ev): 4.1648 4.1648 4.2052 4.2052 6.5674 6.5674 6.5989 6.5989 6.6844 6.6844 7.3453 7.3453 11.1578 11.1578 13.0204 13.0204 14.0912 14.0912 14.5886 14.5886 15.0301 15.0301 15.9760 15.9760 16.5314 16.5314 16.7283 16.7283 17.7348 17.7348 18.2619 18.2619 19.0188 19.0188 19.3328 19.3328 20.0389 20.0389 20.3379 20.3379 20.6718 20.6718 21.6697 21.6697 22.8177 22.8177 23.6534 23.6534 24.4803 24.4803 25.8769 25.8769 28.2526 28.2526 28.7994 28.7994 29.6193 29.6193 k = 0.1466 0.5000 0.1466 ( 2130 PWs) bands (ev): 4.1640 4.1640 4.2059 4.2059 6.5704 6.5704 6.5961 6.5961 6.6828 6.6828 7.2907 7.2907 11.1351 11.1351 13.0753 13.0753 14.1028 14.1028 14.6802 14.6802 15.0356 15.0356 15.9926 15.9926 16.4925 16.4925 16.6740 16.6740 17.7532 17.7532 18.2564 18.2564 19.0322 19.0322 19.3583 19.3583 20.0285 20.0285 20.3098 20.3098 20.6929 20.6929 21.6907 21.6907 22.8399 22.8399 23.6610 23.6610 24.4167 24.4167 25.9945 25.9945 28.3434 28.3434 28.7094 28.7094 29.5549 29.5549 k = 0.1379 0.5000 0.1379 ( 2130 PWs) bands (ev): 4.1630 4.1630 4.2065 4.2065 6.5732 6.5732 6.5935 6.5935 6.6813 6.6813 7.2386 7.2386 11.1129 11.1129 13.1288 13.1288 14.1056 14.1056 14.7657 14.7657 15.0563 15.0563 16.0091 16.0091 16.4554 16.4554 16.6191 16.6191 17.7729 17.7729 18.2509 18.2509 19.0465 19.0465 19.3855 19.3855 20.0132 20.0132 20.2801 20.2801 20.7115 20.7115 21.7203 21.7203 22.8624 22.8624 23.6716 23.6716 24.3495 24.3495 26.1084 26.1084 28.4021 28.4021 28.6370 28.6370 29.4684 29.4684 k = 0.1293 0.5000 0.1293 ( 2138 PWs) bands (ev): 4.1621 4.1621 4.2071 4.2071 6.5756 6.5756 6.5912 6.5912 6.6800 6.6800 7.1891 7.1891 11.0916 11.0916 13.1808 13.1808 14.1010 14.1010 14.8422 14.8422 15.0937 15.0937 16.0252 16.0252 16.4204 16.4204 16.5638 16.5638 17.7936 17.7936 18.2455 18.2455 19.0622 19.0622 19.4136 19.4136 19.9947 19.9947 20.2488 20.2488 20.7261 20.7261 21.7583 21.7583 22.8850 22.8850 23.6849 23.6849 24.2794 24.2794 26.2176 26.2176 28.4171 28.4171 28.5889 28.5889 29.3567 29.3567 k = 0.1207 0.5000 0.1207 ( 2138 PWs) bands (ev): 4.1610 4.1610 4.2076 4.2076 6.5773 6.5773 6.5896 6.5896 6.6787 6.6787 7.1422 7.1422 11.0711 11.0711 13.2310 13.2310 14.0906 14.0906 14.9079 14.9079 15.1472 15.1472 16.0404 16.0404 16.3874 16.3874 16.5083 16.5083 17.8152 17.8152 18.2402 18.2402 19.0798 19.0798 19.4419 19.4419 19.9747 19.9747 20.2160 20.2160 20.7362 20.7362 21.8041 21.8041 22.9075 22.9075 23.7002 23.7002 24.2071 24.2071 26.3210 26.3210 28.3918 28.3918 28.5609 28.5609 29.2383 29.2383 k = 0.1121 0.5000 0.1121 ( 2142 PWs) bands (ev): 4.1599 4.1599 4.2081 4.2081 6.5775 6.5775 6.5893 6.5893 6.6776 6.6776 7.0980 7.0980 11.0516 11.0516 13.2793 13.2793 14.0758 14.0758 14.9645 14.9645 15.2134 15.2134 16.0541 16.0541 16.3563 16.3563 16.4531 16.4531 17.8374 17.8374 18.2348 18.2348 19.0997 19.0997 19.4696 19.4696 19.9542 19.9542 20.1817 20.1817 20.7416 20.7416 21.8568 21.8568 22.9296 22.9296 23.7164 23.7164 24.1340 24.1340 26.4172 26.4172 28.3487 28.3487 28.5349 28.5349 29.1235 29.1235 k = 0.1034 0.5000 0.1034 ( 2134 PWs) bands (ev): 4.1588 4.1588 4.2085 4.2085 6.5763 6.5763 6.5907 6.5907 6.6767 6.6767 7.0564 7.0564 11.0332 11.0332 13.3254 13.3254 14.0581 14.0581 15.0158 15.0158 15.2866 15.2866 16.0661 16.0661 16.3270 16.3270 16.3987 16.3987 17.8602 17.8602 18.2292 18.2292 19.1223 19.1223 19.4958 19.4958 19.9343 19.9343 20.1461 20.1461 20.7430 20.7430 21.9151 21.9151 22.9510 22.9510 23.7313 23.7313 24.0622 24.0622 26.5048 26.5048 28.3015 28.3015 28.5044 28.5044 29.0165 29.0165 k = 0.0948 0.5000 0.0948 ( 2136 PWs) bands (ev): 4.1577 4.1577 4.2090 4.2090 6.5742 6.5742 6.5930 6.5930 6.6759 6.6759 7.0174 7.0174 11.0160 11.0160 13.3691 13.3691 14.0387 14.0387 15.0648 15.0648 15.3620 15.3620 16.0759 16.0759 16.2984 16.2984 16.3464 16.3464 17.8833 17.8833 18.2235 18.2235 19.1477 19.1477 19.5195 19.5195 19.9159 19.9159 20.1095 20.1095 20.7411 20.7411 21.9780 21.9780 22.9716 22.9716 23.7400 23.7400 23.9970 23.9970 26.5822 26.5822 28.2541 28.2541 28.4735 28.4735 28.9188 28.9188 k = 0.0862 0.5000 0.0862 ( 2136 PWs) bands (ev): 4.1566 4.1566 4.2093 4.2093 6.5719 6.5719 6.5959 6.5959 6.6754 6.6754 6.9812 6.9812 11.0001 11.0001 13.4101 13.4101 14.0187 14.0187 15.1132 15.1132 15.4363 15.4363 16.0830 16.0830 16.2663 16.2663 16.3012 16.3012 17.9065 17.9065 18.2175 18.2175 19.1760 19.1760 19.5399 19.5399 19.8996 19.8996 20.0721 20.0721 20.7366 20.7366 22.0440 22.0440 22.9911 22.9911 23.7328 23.7328 23.9482 23.9482 26.6479 26.6479 28.2075 28.2075 28.4479 28.4479 28.8311 28.8311 k = 0.0776 0.5000 0.0776 ( 2126 PWs) bands (ev): 4.1555 4.1555 4.2097 4.2097 6.5694 6.5694 6.5990 6.5990 6.6750 6.6750 6.9478 6.9478 10.9855 10.9855 13.4482 13.4482 13.9988 13.9988 15.1617 15.1617 15.5072 15.5072 16.0866 16.0866 16.2244 16.2244 16.2704 16.2704 17.9296 17.9296 18.2110 18.2110 19.2072 19.2072 19.5562 19.5562 19.8856 19.8856 20.0348 20.0348 20.7305 20.7305 22.1122 22.1122 23.0089 23.0089 23.6987 23.6987 23.9271 23.9271 26.7004 26.7004 28.1631 28.1631 28.4314 28.4314 28.7532 28.7532 k = 0.0690 0.5000 0.0690 ( 2126 PWs) bands (ev): 4.1545 4.1545 4.2100 4.2100 6.5671 6.5671 6.6024 6.6024 6.6748 6.6748 6.9170 6.9170 10.9723 10.9723 13.4831 13.4831 13.9798 13.9798 15.2107 15.2107 15.5732 15.5732 16.0844 16.0844 16.1801 16.1801 16.2493 16.2493 17.9524 17.9524 18.2041 18.2041 19.2413 19.2413 19.5678 19.5678 19.8730 19.8730 19.9989 19.9989 20.7236 20.7236 22.1815 22.1815 23.0249 23.0249 23.6414 23.6414 23.9303 23.9303 26.7391 26.7391 28.1236 28.1236 28.4244 28.4244 28.6849 28.6849 k = 0.0603 0.5000 0.0603 ( 2122 PWs) bands (ev): 4.1535 4.1535 4.2103 4.2103 6.5649 6.5649 6.6060 6.6060 6.6748 6.6748 6.8891 6.8891 10.9605 10.9605 13.5145 13.5145 13.9621 13.9621 15.2600 15.2600 15.6328 15.6328 16.0705 16.0705 16.1449 16.1449 16.2329 16.2329 17.9748 17.9748 18.1966 18.1966 19.2780 19.2780 19.5749 19.5749 19.8588 19.8588 19.9674 19.9674 20.7163 20.7163 22.2510 22.2510 23.0383 23.0383 23.5735 23.5735 23.9457 23.9457 26.7639 26.7639 28.0916 28.0916 28.4257 28.4257 28.6261 28.6261 k = 0.0517 0.5000 0.0517 ( 2116 PWs) bands (ev): 4.1527 4.1527 4.2105 4.2105 6.5628 6.5628 6.6097 6.6097 6.6750 6.6750 6.8641 6.8641 10.9503 10.9503 13.5424 13.5424 13.9460 13.9460 15.3094 15.3094 15.6845 15.6845 16.0396 16.0396 16.1264 16.1264 16.2199 16.2199 17.9965 17.9965 18.1884 18.1884 19.3172 19.3172 19.5779 19.5779 19.8382 19.8382 19.9446 19.9446 20.7092 20.7092 22.3197 22.3197 23.0485 23.0485 23.5032 23.5032 23.9657 23.9657 26.7760 26.7760 28.0684 28.0684 28.4325 28.4325 28.5771 28.5771 k = 0.0431 0.5000 0.0431 ( 2116 PWs) bands (ev): 4.1519 4.1519 4.2107 4.2107 6.5611 6.5611 6.6134 6.6134 6.6754 6.6754 6.8421 6.8421 10.9416 10.9416 13.5664 13.5664 13.9320 13.9320 15.3584 15.3584 15.7265 15.7265 16.0008 16.0008 16.1179 16.1179 16.2096 16.2096 18.0172 18.0172 18.1795 18.1795 19.3586 19.3586 19.5780 19.5780 19.8080 19.8080 19.9329 19.9329 20.7028 20.7028 22.3866 22.3866 23.0544 23.0544 23.4357 23.4357 23.9865 23.9865 26.7780 26.7780 28.0538 28.0538 28.4404 28.4404 28.5394 28.5394 k = 0.0345 0.5000 0.0345 ( 2116 PWs) bands (ev): 4.1513 4.1513 4.2109 4.2109 6.5596 6.5596 6.6168 6.6168 6.6760 6.6760 6.8233 6.8233 10.9344 10.9344 13.5863 13.5863 13.9203 13.9203 15.4064 15.4064 15.7556 15.7556 15.9647 15.9647 16.1128 16.1128 16.2018 16.2018 18.0369 18.0369 18.1699 18.1699 19.4016 19.4016 19.5762 19.5762 19.7702 19.7702 19.9293 19.9293 20.6973 20.6973 22.4501 22.4501 23.0548 23.0548 23.3751 23.3751 24.0058 24.0058 26.7730 26.7730 28.0462 28.0462 28.4428 28.4428 28.5173 28.5173 k = 0.0259 0.5000 0.0259 ( 2120 PWs) bands (ev): 4.1508 4.1508 4.2110 4.2110 6.5584 6.5584 6.6200 6.6200 6.6767 6.6767 6.8080 6.8080 10.9288 10.9288 13.6020 13.6020 13.9110 13.9110 15.4520 15.4520 15.7676 15.7676 15.9389 15.9389 16.1089 16.1089 16.1961 16.1961 18.0550 18.0550 18.1598 18.1598 19.4460 19.4460 19.5737 19.5737 19.7280 19.7280 19.9296 19.9296 20.6928 20.6928 22.5079 22.5079 23.0488 23.0488 23.3254 23.3254 24.0222 24.0222 26.7647 26.7647 28.0437 28.0437 28.4350 28.4350 28.5130 28.5130 k = 0.0172 0.5000 0.0172 ( 2104 PWs) bands (ev): 4.1505 4.1505 4.2111 4.2111 6.5575 6.5575 6.6224 6.6224 6.6775 6.6775 6.7966 6.7966 10.9248 10.9248 13.6133 13.6133 13.9042 13.9042 15.4928 15.4928 15.7616 15.7616 15.9270 15.9270 16.1059 16.1059 16.1921 16.1921 18.0711 18.0711 18.1496 18.1496 19.4908 19.4908 19.5717 19.5717 19.6836 19.6836 19.9313 19.9313 20.6896 20.6896 22.5563 22.5563 23.0370 23.0370 23.2899 23.2899 24.0348 24.0348 26.7561 26.7561 28.0438 28.0438 28.4233 28.4233 28.5178 28.5178 k = 0.0086 0.5000 0.0086 ( 2104 PWs) bands (ev): 4.1502 4.1502 4.2111 4.2111 6.5570 6.5570 6.6241 6.6241 6.6781 6.6781 6.7895 6.7895 10.9224 10.9224 13.6202 13.6202 13.9001 13.9001 15.5235 15.5235 15.7472 15.7472 15.9247 15.9247 16.1040 16.1040 16.1898 16.1898 18.0835 18.0835 18.1408 18.1408 19.5334 19.5334 19.5726 19.5726 19.6389 19.6389 19.9328 19.9328 20.6877 20.6877 22.5899 22.5899 23.0245 23.0245 23.2694 23.2694 24.0426 24.0426 26.7499 26.7499 28.0447 28.0447 28.4146 28.4146 28.5231 28.5231 k = 0.0000 0.5000-0.0000 ( 2104 PWs) bands (ev): 4.1502 4.1502 4.2112 4.2112 6.5568 6.5568 6.6246 6.6246 6.6783 6.6783 6.7871 6.7871 10.9216 10.9216 13.6225 13.6225 13.8988 13.8988 15.5355 15.5355 15.7397 15.7397 15.9248 15.9248 16.1034 16.1034 16.1890 16.1890 18.0886 18.0886 18.1368 18.1368 19.5542 19.5542 19.5859 19.5859 19.6042 19.6042 19.9333 19.9333 20.6870 20.6870 22.6021 22.6021 23.0190 23.0190 23.2629 23.2629 24.0452 24.0452 26.7477 26.7477 28.0451 28.0451 28.4115 28.4115 28.5252 28.5252 k = 0.5000 0.5000-0.0000 ( 2160 PWs) bands (ev): 4.1940 4.1940 4.2006 4.2006 6.5297 6.5297 6.6488 6.6488 6.7706 6.7706 8.4945 8.4945 11.9168 11.9168 12.0924 12.0924 12.1316 12.1316 14.4574 14.4574 15.5673 15.5673 15.7888 15.7888 16.0988 16.0988 17.5382 17.5382 17.6272 17.6272 18.0073 18.0073 18.3542 18.3542 19.4885 19.4885 20.0696 20.0696 20.0697 20.0697 20.4852 20.4852 21.4113 21.4113 22.9039 22.9039 23.4266 23.4266 24.8307 24.8307 26.9789 26.9789 27.9259 27.9259 28.6768 28.6768 29.5155 29.5155 k = 0.5000 0.5000 0.0122 ( 2160 PWs) bands (ev): 4.1939 4.1939 4.2006 4.2006 6.5295 6.5295 6.6487 6.6487 6.7704 6.7704 8.4961 8.4961 11.9162 11.9162 12.0918 12.0918 12.1300 12.1300 14.4547 14.4547 15.5694 15.5694 15.7906 15.7906 16.1019 16.1019 17.5302 17.5302 17.6374 17.6374 18.0057 18.0057 18.3575 18.3575 19.4803 19.4803 20.0672 20.0672 20.0787 20.0787 20.4854 20.4854 21.4115 21.4115 22.9033 22.9033 23.4258 23.4258 24.8234 24.8234 26.9960 26.9960 27.9109 27.9109 28.6687 28.6687 29.5009 29.5009 k = 0.5000 0.5000 0.0244 ( 2152 PWs) bands (ev): 4.1937 4.1937 4.2003 4.2003 6.5291 6.5291 6.6487 6.6487 6.7697 6.7697 8.5007 8.5007 11.9142 11.9142 12.0900 12.0900 12.1252 12.1252 14.4466 14.4466 15.5757 15.5757 15.7960 15.7960 16.1110 16.1110 17.5127 17.5127 17.6616 17.6616 18.0010 18.0010 18.3672 18.3672 19.4575 19.4575 20.0596 20.0596 20.1044 20.1044 20.4863 20.4863 21.4120 21.4120 22.9016 22.9016 23.4234 23.4234 24.8022 24.8022 27.0462 27.0462 27.8670 27.8670 28.6443 28.6443 29.4579 29.4579 k = 0.5000 0.5000 0.0366 ( 2152 PWs) bands (ev): 4.1933 4.1933 4.1999 4.1999 6.5284 6.5284 6.6486 6.6486 6.7685 6.7685 8.5084 8.5084 11.9110 11.9110 12.0869 12.0869 12.1172 12.1172 14.4330 14.4330 15.5862 15.5862 15.8051 15.8051 16.1262 16.1262 17.4928 17.4928 17.6926 17.6926 17.9940 17.9940 18.3827 18.3827 19.4233 19.4233 20.0469 20.0469 20.1433 20.1433 20.4876 20.4876 21.4129 21.4129 22.8987 22.8987 23.4194 23.4194 24.7697 24.7697 27.1269 27.1269 27.7970 27.7970 28.6033 28.6033 29.3890 29.3890 k = 0.5000 0.5000 0.0488 ( 2156 PWs) bands (ev): 4.1927 4.1927 4.1993 4.1993 6.5274 6.5274 6.6486 6.6486 6.7669 6.7669 8.5192 8.5192 11.9064 11.9064 12.0827 12.0827 12.1062 12.1062 14.4140 14.4140 15.6009 15.6009 15.8178 15.8178 16.1473 16.1473 17.4732 17.4732 17.7274 17.7274 17.9851 17.9851 18.4030 18.4030 19.3817 19.3817 20.0292 20.0292 20.1916 20.1916 20.4895 20.4895 21.4143 21.4143 22.8945 22.8945 23.4138 23.4138 24.7294 24.7294 27.2344 27.2344 27.7050 27.7050 28.5460 28.5460 29.2975 29.2975 k = 0.5000 0.5000 0.0610 ( 2148 PWs) bands (ev): 4.1920 4.1920 4.1985 4.1985 6.5261 6.5261 6.6485 6.6485 6.7649 6.7649 8.5331 8.5331 11.9007 11.9007 12.0773 12.0773 12.0924 12.0924 14.3897 14.3897 15.6197 15.6197 15.8342 15.8342 16.1743 16.1743 17.4549 17.4549 17.7649 17.7649 17.9752 17.9752 18.4271 18.4271 19.3356 19.3356 20.0066 20.0066 20.2463 20.2463 20.4919 20.4919 21.4161 21.4161 22.8891 22.8891 23.4067 23.4067 24.6848 24.6848 27.3651 27.3651 27.5950 27.5950 28.4730 28.4730 29.1872 29.1872 k = 0.5000 0.5000 0.0732 ( 2148 PWs) bands (ev): 4.1911 4.1911 4.1976 4.1976 6.5245 6.5245 6.6483 6.6483 6.7624 6.7624 8.5500 8.5500 11.8937 11.8937 12.0707 12.0707 12.0758 12.0758 14.3602 14.3602 15.6426 15.6426 15.8543 15.8543 16.2069 16.2069 17.4383 17.4383 17.8047 17.8047 17.9648 17.9648 18.4540 18.4540 19.2876 19.2876 19.9793 19.9793 20.3052 20.3052 20.4949 20.4949 21.4185 21.4185 22.8824 22.8824 23.3980 23.3980 24.6392 24.6392 27.4709 27.4709 27.5151 27.5151 28.3857 28.3857 29.0617 29.0617 k = 0.5000 0.5000 0.0854 ( 2156 PWs) bands (ev): 4.1900 4.1900 4.1965 4.1965 6.5227 6.5227 6.6482 6.6482 6.7596 6.7596 8.5700 8.5700 11.8855 11.8855 12.0568 12.0568 12.0630 12.0630 14.3253 14.3253 15.6695 15.6695 15.8781 15.8781 16.2449 16.2449 17.4235 17.4235 17.8462 17.8462 17.9544 17.9544 18.4826 18.4826 19.2394 19.2394 19.9473 19.9473 20.3665 20.3665 20.4983 20.4983 21.4215 21.4215 22.8743 22.8743 23.3878 23.3878 24.5953 24.5953 27.3359 27.3359 27.6814 27.6814 28.2858 28.2858 28.9244 28.9244 k = 0.5000 0.5000 0.0976 ( 2156 PWs) bands (ev): 4.1888 4.1888 4.1952 4.1952 6.5205 6.5205 6.6481 6.6481 6.7564 6.7564 8.5931 8.5931 11.8762 11.8762 12.0354 12.0354 12.0543 12.0543 14.2854 14.2854 15.7005 15.7005 15.9057 15.9057 16.2882 16.2882 17.4106 17.4106 17.8892 17.8892 17.9444 17.9444 18.5120 18.5120 19.1927 19.1927 19.9111 19.9111 20.4290 20.4290 20.5022 20.5022 21.4254 21.4254 22.8649 22.8649 23.3761 23.3761 24.5551 24.5551 27.1927 27.1927 27.8613 27.8613 28.1754 28.1754 28.7780 28.7780 k = 0.5000 0.5000 0.1098 ( 2156 PWs) bands (ev): 4.1875 4.1875 4.1938 4.1938 6.5180 6.5180 6.6480 6.6480 6.7529 6.7529 8.6192 8.6192 11.8659 11.8659 12.0120 12.0120 12.0445 12.0445 14.2405 14.2405 15.7354 15.7354 15.9370 15.9370 16.3364 16.3364 17.3995 17.3995 17.9333 17.9333 17.9348 17.9348 18.5407 18.5407 19.1489 19.1489 19.8709 19.8709 20.4917 20.4917 20.5065 20.5065 21.4303 21.4303 22.8539 22.8539 23.3629 23.3629 24.5203 24.5203 27.0437 27.0437 28.0524 28.0524 28.0564 28.0564 28.6250 28.6250 k = 0.5000 0.5000 0.1220 ( 2148 PWs) bands (ev): 4.1861 4.1861 4.1923 4.1923 6.5153 6.5153 6.6479 6.6479 6.7491 6.7491 8.6483 8.6483 11.8546 11.8546 11.9869 11.9869 12.0337 12.0337 14.1906 14.1906 15.7743 15.7743 15.9721 15.9721 16.3894 16.3894 17.3902 17.3902 17.9259 17.9259 17.9783 17.9783 18.5673 18.5673 19.1096 19.1096 19.8272 19.8272 20.5112 20.5112 20.5537 20.5537 21.4364 21.4364 22.8413 22.8413 23.3483 23.3483 24.4919 24.4919 26.8906 26.8906 27.9307 27.9307 28.2526 28.2526 28.4675 28.4675 k = 0.5000 0.5000 0.1341 ( 2148 PWs) bands (ev): 4.1845 4.1845 4.1906 4.1906 6.5122 6.5122 6.6478 6.6478 6.7451 6.7451 8.6805 8.6805 11.8423 11.8423 11.9602 11.9602 12.0221 12.0221 14.1359 14.1359 15.8170 15.8170 16.0110 16.0110 16.4467 16.4467 17.3825 17.3825 17.9177 17.9177 18.0237 18.0237 18.5899 18.5899 19.0768 19.0768 19.7804 19.7804 20.5164 20.5164 20.6142 20.6142 21.4440 21.4440 22.8271 22.8271 23.3322 23.3322 24.4705 24.4705 26.7348 26.7348 27.8000 27.8000 28.3054 28.3054 28.4622 28.4622 k = 0.5000 0.5000 0.1463 ( 2148 PWs) bands (ev): 4.1828 4.1828 4.1888 4.1888 6.5089 6.5089 6.6477 6.6477 6.7409 6.7409 8.7157 8.7157 11.8291 11.8291 11.9322 11.9322 12.0096 12.0096 14.0766 14.0766 15.8636 15.8636 16.0536 16.0536 16.5081 16.5081 17.3765 17.3765 17.9103 17.9103 18.0691 18.0691 18.6063 18.6063 19.0525 19.0525 19.7312 19.7312 20.5218 20.5218 20.6723 20.6723 21.4535 21.4535 22.8111 22.8111 23.3147 23.3147 24.4565 24.4565 26.5776 26.5776 27.6659 27.6659 28.1434 28.1434 28.6764 28.6764 k = 0.5000 0.5000 0.1585 ( 2132 PWs) bands (ev): 4.1810 4.1810 4.1869 4.1869 6.5053 6.5053 6.6477 6.6477 6.7366 6.7366 8.7539 8.7539 11.8152 11.8152 11.9032 11.9032 11.9963 11.9963 14.0128 14.0128 15.9139 15.9139 16.0999 16.0999 16.5733 16.5733 17.3719 17.3719 17.9036 17.9036 18.1142 18.1142 18.6144 18.6144 19.0388 19.0388 19.6802 19.6802 20.5276 20.5276 20.7273 20.7273 21.4654 21.4654 22.7933 22.7933 23.2957 23.2957 24.4499 24.4499 26.4200 26.4200 27.5299 27.5299 27.9807 27.9807 28.8960 28.8960 k = 0.5000 0.5000 0.1707 ( 2132 PWs) bands (ev): 4.1791 4.1791 4.1849 4.1849 6.5013 6.5013 6.6477 6.6477 6.7321 6.7321 8.7951 8.7951 11.8006 11.8006 11.8734 11.8734 11.9823 11.9823 13.9446 13.9446 15.9679 15.9679 16.1498 16.1498 16.6418 16.6418 17.3688 17.3688 17.8976 17.8976 18.1584 18.1584 18.6132 18.6132 19.0365 19.0365 19.6282 19.6282 20.5336 20.5336 20.7783 20.7783 21.4800 21.4800 22.7735 22.7735 23.2751 23.2751 24.4508 24.4508 26.2628 26.2628 27.3931 27.3931 27.8185 27.8185 29.1196 29.1196 k = 0.5000 0.5000 0.1829 ( 2136 PWs) bands (ev): 4.1772 4.1772 4.1828 4.1828 6.4972 6.4972 6.6477 6.6477 6.7276 6.7276 8.8392 8.8392 11.7853 11.7853 11.8430 11.8430 11.9676 11.9676 13.8723 13.8723 16.0255 16.0255 16.2034 16.2034 16.7134 16.7134 17.3669 17.3669 17.8924 17.8924 18.2012 18.2012 18.6032 18.6032 19.0449 19.0449 19.5759 19.5759 20.5399 20.5399 20.8244 20.8244 21.4978 21.4978 22.7517 22.7517 23.2528 23.2528 24.4590 24.4590 26.1069 26.1069 27.2567 27.2567 27.6581 27.6581 29.3459 29.3459 k = 0.5000 0.5000 0.1951 ( 2136 PWs) bands (ev): 4.1751 4.1751 4.1805 4.1805 6.4927 6.4927 6.6478 6.6478 6.7231 6.7231 8.8863 8.8863 11.7694 11.7694 11.8125 11.8125 11.9525 11.9525 13.7960 13.7960 16.0867 16.0867 16.2604 16.2604 16.7875 16.7875 17.3662 17.3662 17.8878 17.8878 18.2421 18.2421 18.5863 18.5863 19.0618 19.0618 19.5241 19.5241 20.5463 20.5463 20.8650 20.8650 21.5193 21.5193 22.7279 22.7279 23.2287 23.2287 24.4740 24.4740 25.9528 25.9528 27.1218 27.1218 27.5001 27.5001 29.5736 29.5736 k = 0.5000 0.5000 0.2073 ( 2136 PWs) bands (ev): 4.1730 4.1730 4.1783 4.1783 6.4881 6.4881 6.6479 6.6479 6.7185 6.7185 8.9362 8.9362 11.7528 11.7528 11.7821 11.7821 11.9369 11.9369 13.7160 13.7160 16.1514 16.1514 16.3209 16.3209 16.8638 16.8638 17.3666 17.3666 17.8841 17.8841 18.2802 18.2802 18.5649 18.5649 19.0846 19.0846 19.4739 19.4739 20.5528 20.5528 20.8994 20.8994 21.5445 21.5445 22.7019 22.7019 23.2026 23.2026 24.4956 24.4956 25.8012 25.8012 26.9893 26.9893 27.3454 27.3454 29.8015 29.8015 k = 0.5000 0.5000 0.2195 ( 2136 PWs) bands (ev): 4.1709 4.1709 4.1759 4.1759 6.4832 6.4832 6.6481 6.6481 6.7140 6.7140 8.9889 8.9889 11.7349 11.7349 11.7527 11.7527 11.9210 11.9210 13.6324 13.6324 16.2194 16.2194 16.3846 16.3846 16.9417 16.9417 17.3679 17.3679 17.8812 17.8812 18.3151 18.3151 18.5411 18.5411 19.1109 19.1109 19.4260 19.4260 20.5594 20.5594 20.9272 20.9272 21.5734 21.5734 22.6738 22.6738 23.1744 23.1744 24.5234 24.5234 25.6526 25.6526 26.8600 26.8600 27.1948 27.1948 30.0282 30.0282 k = 0.5000 0.5000 0.2317 ( 2136 PWs) bands (ev): 4.1687 4.1687 4.1735 4.1735 6.4781 6.4781 6.6483 6.6483 6.7095 6.7095 9.0445 9.0445 11.7129 11.7129 11.7274 11.7274 11.9048 11.9048 13.5455 13.5455 16.2906 16.2906 16.4515 16.4515 17.0207 17.0207 17.3701 17.3701 17.8793 17.8793 18.3459 18.3459 18.5165 18.5165 19.1387 19.1387 19.3813 19.3813 20.5659 20.5659 20.9486 20.9486 21.6057 21.6057 22.6438 22.6438 23.1439 23.1439 24.5567 24.5567 25.5075 25.5075 26.7346 26.7346 27.0488 27.0488 30.2522 30.2522 k = 0.5000 0.5000 0.2439 ( 2136 PWs) bands (ev): 4.1665 4.1665 4.1711 4.1711 6.4729 6.4729 6.6486 6.6486 6.7052 6.7052 9.1028 9.1028 11.6856 11.6856 11.7078 11.7078 11.8884 11.8884 13.4556 13.4556 16.3648 16.3648 16.5213 16.5213 17.1000 17.1000 17.3729 17.3729 17.8789 17.8789 18.3720 18.3720 18.4923 18.4923 19.1665 19.1665 19.3407 19.3407 20.5724 20.5724 20.9636 20.9636 21.6408 21.6408 22.6118 22.6118 23.1111 23.1111 24.5952 24.5952 25.3663 25.3663 26.6137 26.6137 26.9082 26.9082 30.4716 30.4716 k = 0.5000 0.5000 0.2561 ( 2136 PWs) bands (ev): 4.1643 4.1643 4.1686 4.1686 6.4676 6.4676 6.6489 6.6489 6.7009 6.7009 9.1637 9.1637 11.6567 11.6567 11.6903 11.6903 11.8720 11.8720 13.3628 13.3628 16.4419 16.4419 16.5937 16.5937 17.1788 17.1788 17.3764 17.3764 17.8804 17.8804 18.3928 18.3928 18.4691 18.4691 19.1930 19.1930 19.3047 19.3047 20.5788 20.5788 20.9728 20.9728 21.6777 21.6777 22.5782 22.5782 23.0759 23.0759 24.6383 24.6383 25.2296 25.2296 26.4981 26.4981 26.7734 26.7734 30.6841 30.6841 k = 0.5000 0.5000 0.2683 ( 2144 PWs) bands (ev): 4.1621 4.1621 4.1662 4.1662 6.4622 6.4622 6.6492 6.6492 6.6968 6.6968 9.2272 9.2272 11.6280 11.6280 11.6735 11.6735 11.8555 11.8555 13.2676 13.2676 16.5215 16.5215 16.6687 16.6687 17.2560 17.2560 17.3804 17.3804 17.8847 17.8847 18.4080 18.4080 18.4477 18.4477 19.2171 19.2171 19.2739 19.2739 20.5850 20.5850 20.9765 20.9765 21.7154 21.7154 22.5434 22.5434 23.0383 23.0383 24.6854 24.6854 25.0978 25.0978 26.3881 26.3881 26.6449 26.6449 30.8870 30.8870 k = 0.5000 0.5000 0.2805 ( 2140 PWs) bands (ev): 4.1600 4.1600 4.1637 4.1637 6.4567 6.4567 6.6496 6.6496 6.6929 6.6929 9.2933 9.2933 11.5999 11.5999 11.6570 11.6570 11.8391 11.8391 13.1702 13.1702 16.6036 16.6036 16.7458 16.7458 17.3301 17.3301 17.3849 17.3849 17.8932 17.8932 18.4173 18.4173 18.4281 18.4281 19.2381 19.2381 19.2484 19.2484 20.5909 20.5909 20.9753 20.9753 21.7528 21.7528 22.5078 22.5078 22.9985 22.9985 24.7358 24.7358 24.9713 24.9713 26.2841 26.2841 26.5231 26.5231 31.0770 31.0770 k = 0.5000 0.5000 0.2927 ( 2148 PWs) bands (ev): 4.1578 4.1578 4.1613 4.1613 6.4513 6.4513 6.6501 6.6501 6.6891 6.6891 9.3618 9.3618 11.5726 11.5726 11.6410 11.6410 11.8228 11.8228 13.0708 13.0708 16.6876 16.6876 16.8248 16.8248 17.3896 17.3896 17.3992 17.3992 17.9074 17.9074 18.4107 18.4107 18.4211 18.4211 19.2278 19.2278 19.2550 19.2550 20.5965 20.5965 20.9697 20.9697 21.7887 21.7887 22.4721 22.4721 22.9566 22.9566 24.7891 24.7891 24.8504 24.8504 26.1865 26.1865 26.4084 26.4084 31.2501 31.2501 k = 0.5000 0.5000 0.3049 ( 2152 PWs) bands (ev): 4.1557 4.1557 4.1589 4.1589 6.4459 6.4459 6.6505 6.6505 6.6855 6.6855 9.4326 9.4326 11.5463 11.5463 11.6253 11.6253 11.8068 11.8068 12.9699 12.9699 16.7731 16.7731 16.9052 16.9052 17.3946 17.3946 17.4612 17.4612 17.9295 17.9295 18.3956 18.3956 18.4200 18.4200 19.2114 19.2114 19.2673 19.2673 20.6019 20.6019 20.9603 20.9603 21.8218 21.8218 22.4375 22.4375 22.9129 22.9129 24.7356 24.7356 24.8444 24.8444 26.0954 26.0954 26.3010 26.3010 31.4019 31.4019 k = 0.5000 0.5000 0.3171 ( 2144 PWs) bands (ev): 4.1537 4.1537 4.1565 4.1565 6.4405 6.4405 6.6510 6.6510 6.6821 6.6821 9.5056 9.5056 11.5212 11.5212 11.6102 11.6102 11.7910 11.7910 12.8679 12.8679 16.8596 16.8596 16.9865 16.9865 17.3998 17.3998 17.5143 17.5143 17.9614 17.9614 18.3826 18.3826 18.4150 18.4150 19.1982 19.1982 19.2742 19.2742 20.6068 20.6068 20.9473 20.9473 21.8506 21.8506 22.4050 22.4050 22.8678 22.8678 24.6271 24.6271 24.9013 24.9013 26.0111 26.0111 26.2012 26.2012 31.5279 31.5279 k = 0.5000 0.5000 0.3293 ( 2144 PWs) bands (ev): 4.1517 4.1517 4.1543 4.1543 6.4353 6.4353 6.6516 6.6516 6.6788 6.6788 9.5805 9.5805 11.4973 11.4973 11.5957 11.5957 11.7754 11.7754 12.7650 12.7650 16.9461 16.9461 17.0682 17.0682 17.4050 17.4050 17.5579 17.5579 18.0040 18.0040 18.3719 18.3719 18.4075 18.4075 19.1870 19.1870 19.2752 19.2752 20.6113 20.6113 20.9311 20.9311 21.8738 21.8738 22.3763 22.3763 22.8216 22.8216 24.5253 24.5253 24.9590 24.9590 25.9335 25.9335 26.1089 26.1089 31.6248 31.6248 k = 0.5000 0.5000 0.3415 ( 2144 PWs) bands (ev): 4.1498 4.1498 4.1521 4.1521 6.4303 6.4303 6.6521 6.6521 6.6758 6.6758 9.6573 9.6573 11.4747 11.4747 11.5819 11.5819 11.7601 11.7601 12.6619 12.6619 17.0316 17.0316 17.1497 17.1497 17.4103 17.4103 17.5935 17.5935 18.0563 18.0563 18.3632 18.3632 18.3987 18.3987 19.1764 19.1764 19.2699 19.2699 20.6154 20.6154 20.9121 20.9121 21.8897 21.8897 22.3530 22.3530 22.7749 22.7749 24.4305 24.4305 25.0169 25.0169 25.8627 25.8627 26.0243 26.0243 31.6914 31.6914 k = 0.5000 0.5000 0.3537 ( 2152 PWs) bands (ev): 4.1480 4.1480 4.1500 4.1500 6.4254 6.4254 6.6526 6.6526 6.6730 6.6730 9.7356 9.7356 11.4535 11.4535 11.5687 11.5687 11.7450 11.7450 12.5590 12.5590 17.1143 17.1143 17.2299 17.2299 17.4157 17.4157 17.6241 17.6241 18.1159 18.1159 18.3569 18.3569 18.3902 18.3902 19.1652 19.1652 19.2578 19.2578 20.6191 20.6191 20.8905 20.8905 21.8972 21.8972 22.3365 22.3365 22.7283 22.7283 24.3428 24.3428 25.0741 25.0741 25.7984 25.7984 25.9473 25.9473 31.7293 31.7293 k = 0.5000 0.5000 0.3659 ( 2152 PWs) bands (ev): 4.1463 4.1463 4.1480 4.1480 6.4208 6.4208 6.6532 6.6532 6.6704 6.6704 9.8152 9.8152 11.4338 11.4338 11.5564 11.5564 11.7300 11.7300 12.4569 12.4569 17.1919 17.1919 17.3074 17.3074 17.4218 17.4218 17.6543 17.6543 18.1793 18.1793 18.3533 18.3533 18.3833 18.3833 19.1521 19.1521 19.2386 19.2386 20.6223 20.6223 20.8668 20.8668 21.8960 21.8960 22.3274 22.3274 22.6825 22.6825 24.2623 24.2623 25.1302 25.1302 25.7407 25.7407 25.8777 25.8777 31.7425 31.7425 k = 0.5000 0.5000 0.3780 ( 2152 PWs) bands (ev): 4.1447 4.1447 4.1462 4.1462 6.4164 6.4164 6.6537 6.6537 6.6681 6.6681 9.8957 9.8957 11.4155 11.4155 11.5449 11.5449 11.7149 11.7149 12.3566 12.3566 17.2611 17.2611 17.3781 17.3781 17.4315 17.4315 17.6891 17.6891 18.2415 18.2415 18.3547 18.3547 18.3795 18.3795 19.1361 19.1361 19.2124 19.2124 20.6251 20.6251 20.8413 20.8413 21.8871 21.8871 22.3254 22.3254 22.6380 22.6380 24.1893 24.1893 25.1843 25.1843 25.6891 25.6891 25.8155 25.8155 31.7365 31.7365 k = 0.5000 0.5000 0.3902 ( 2168 PWs) bands (ev): 4.1433 4.1433 4.1444 4.1444 6.4124 6.4124 6.6542 6.6542 6.6659 6.6659 9.9766 9.9766 11.3989 11.3989 11.5343 11.5343 11.6992 11.6992 12.2590 12.2590 17.3186 17.3186 17.4172 17.4172 17.4682 17.4682 17.7329 17.7329 18.2911 18.2911 18.3700 18.3700 18.3802 18.3802 19.1165 19.1165 19.1791 19.1791 20.6275 20.6275 20.8144 20.8144 21.8721 21.8721 22.3290 22.3290 22.5956 22.5956 24.1237 24.1237 25.2356 25.2356 25.6436 25.6436 25.7604 25.7604 31.7169 31.7169 k = 0.5000 0.5000 0.4024 ( 2176 PWs) bands (ev): 4.1419 4.1419 4.1429 4.1429 6.4087 6.4087 6.6547 6.6547 6.6640 6.6640 10.0574 10.0574 11.3838 11.3838 11.5247 11.5247 11.6825 11.6825 12.1655 12.1655 17.3624 17.3624 17.4264 17.4264 17.5289 17.5289 17.7886 17.7886 18.3128 18.3128 18.3867 18.3867 18.4123 18.4123 19.0927 19.0927 19.1392 19.1392 20.6296 20.6296 20.7867 20.7867 21.8535 21.8535 22.3364 22.3364 22.5559 22.5559 24.0656 24.0656 25.2836 25.2836 25.6039 25.6039 25.7124 25.7124 31.6888 31.6888 k = 0.5000 0.5000 0.4146 ( 2176 PWs) bands (ev): 4.1407 4.1407 4.1415 4.1415 6.4054 6.4054 6.6551 6.6551 6.6623 6.6623 10.1370 10.1370 11.3705 11.3705 11.5161 11.5161 11.6639 11.6639 12.0781 12.0781 17.3932 17.3932 17.4312 17.4312 17.5867 17.5867 17.8558 17.8558 18.3185 18.3185 18.4001 18.4001 18.4678 18.4678 19.0644 19.0644 19.0931 19.0931 20.6313 20.6313 20.7588 20.7588 21.8333 21.8333 22.3458 22.3458 22.5194 22.5194 24.0147 24.0147 25.3273 25.3273 25.5696 25.5696 25.6711 25.6711 31.6563 31.6563 k = 0.5000 0.5000 0.4268 ( 2184 PWs) bands (ev): 4.1397 4.1397 4.1402 4.1402 6.4024 6.4024 6.6555 6.6555 6.6608 6.6608 10.2146 10.2146 11.3588 11.3588 11.5086 11.5086 11.6420 11.6420 11.9992 11.9992 17.4135 17.4135 17.4348 17.4348 17.6373 17.6373 17.9318 17.9318 18.3200 18.3200 18.4213 18.4213 18.5223 18.5223 19.0315 19.0315 19.0419 19.0419 20.6327 20.6327 20.7316 20.7316 21.8133 21.8133 22.3560 22.3560 22.4868 22.4868 23.9711 23.9711 25.3660 25.3660 25.5406 25.5406 25.6367 25.6367 31.6227 31.6227 k = 0.5000 0.5000 0.4390 ( 2176 PWs) bands (ev): 4.1388 4.1388 4.1391 4.1391 6.3999 6.3999 6.6559 6.6559 6.6595 6.6595 10.2884 10.2884 11.3490 11.3490 11.5022 11.5022 11.6155 11.6155 11.9320 11.9320 17.4264 17.4264 17.4376 17.4376 17.6793 17.6793 18.0131 18.0131 18.3205 18.3205 18.4501 18.4501 18.5707 18.5707 18.9873 18.9873 18.9944 18.9944 20.6339 20.6339 20.7059 20.7059 21.7948 21.7948 22.3658 22.3658 22.4584 22.4584 23.9346 23.9346 25.3989 25.3989 25.5165 25.5165 25.6090 25.6090 31.5906 31.5906 k = 0.5000 0.5000 0.4512 ( 2176 PWs) bands (ev): 4.1380 4.1380 4.1383 4.1383 6.3978 6.3978 6.6561 6.6561 6.6585 6.6585 10.3563 10.3563 11.3408 11.3408 11.4969 11.4969 11.5841 11.5841 11.8791 11.8791 17.4344 17.4344 17.4399 17.4399 17.7124 17.7124 18.0961 18.0961 18.3207 18.3207 18.4856 18.4856 18.6090 18.6090 18.9324 18.9324 18.9538 18.9538 20.6348 20.6348 20.6829 20.6829 21.7787 21.7787 22.3745 22.3745 22.4347 22.4347 23.9050 23.9050 25.4251 25.4251 25.4971 25.4971 25.5881 25.5881 31.5619 31.5619 k = 0.5000 0.5000 0.4634 ( 2176 PWs) bands (ev): 4.1374 4.1374 4.1376 4.1376 6.3961 6.3961 6.6564 6.6564 6.6577 6.6577 10.4155 10.4155 11.3345 11.3345 11.4927 11.4927 11.5499 11.5499 11.8413 11.8413 17.4392 17.4392 17.4416 17.4416 17.7370 17.7370 18.1769 18.1769 18.3208 18.3208 18.5258 18.5258 18.6327 18.6327 18.8823 18.8823 18.9112 18.9112 20.6354 20.6354 20.6634 20.6634 21.7656 21.7656 22.3818 22.3818 22.4160 22.4160 23.8822 23.8822 25.4441 25.4441 25.4823 25.4823 25.5740 25.5740 31.5382 31.5382 k = 0.5000 0.5000 0.4756 ( 2176 PWs) bands (ev): 4.1370 4.1370 4.1371 4.1371 6.3950 6.3950 6.6565 6.6565 6.6571 6.6571 10.4623 10.4623 11.3299 11.3299 11.4898 11.4898 11.5182 11.5182 11.8170 11.8170 17.4420 17.4420 17.4429 17.4429 17.7538 17.7538 18.2499 18.2499 18.3212 18.3212 18.5667 18.5667 18.6368 18.6368 18.8451 18.8451 18.8695 18.8695 20.6359 20.6359 20.6487 20.6487 21.7561 21.7561 22.3871 22.3871 22.4024 22.4024 23.8660 23.8660 25.4559 25.4559 25.4718 25.4718 25.5661 25.5661 31.5205 31.5205 k = 0.5000 0.5000 0.4878 ( 2176 PWs) bands (ev): 4.1367 4.1367 4.1368 4.1368 6.3942 6.3942 6.6566 6.6566 6.6568 6.6568 10.4926 10.4926 11.3272 11.3272 11.4880 11.4880 11.4956 11.4956 11.8036 11.8036 17.4434 17.4434 17.4436 17.4436 17.7635 17.7635 18.3034 18.3034 18.3242 18.3242 18.6009 18.6009 18.6245 18.6245 18.8260 18.8260 18.8353 18.8353 20.6362 20.6362 20.6394 20.6394 21.7503 21.7503 22.3904 22.3904 22.3942 22.3942 23.8564 23.8564 25.4618 25.4618 25.4655 25.4655 25.5627 25.5627 31.5096 31.5096 k = 0.5000 0.5000 0.5000 ( 2176 PWs) bands (ev): 4.1367 4.1367 4.1367 4.1367 6.3940 6.3940 6.6567 6.6567 6.6567 6.6567 10.5032 10.5032 11.3263 11.3263 11.4874 11.4874 11.4874 11.4874 11.7994 11.7994 17.4439 17.4439 17.4439 17.4439 17.7666 17.7666 18.3157 18.3157 18.3345 18.3345 18.6154 18.6154 18.6154 18.6154 18.8209 18.8209 18.8209 18.8209 20.6363 20.6363 20.6363 20.6363 21.7483 21.7483 22.3915 22.3915 22.3915 22.3915 23.8532 23.8532 25.4635 25.4635 25.4635 25.4635 25.5619 25.5619 31.5059 31.5059 Writing output data file Pt3PbC.save init_run : 0.31s CPU 0.74s WALL ( 1 calls) electrons : 143.02s CPU 146.78s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.18s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 143.01s CPU 146.77s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.07s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 316 calls) cegterg : 134.81s CPU 137.46s WALL ( 539 calls) Called by sum_band: Called by *egterg: h_psi : 50.93s CPU 52.80s WALL ( 8995 calls) s_psi : 6.33s CPU 6.42s WALL ( 8995 calls) g_psi : 0.15s CPU 0.18s WALL ( 8140 calls) cdiaghg : 69.78s CPU 70.68s WALL ( 8456 calls) cegterg:over : 5.51s CPU 5.65s WALL ( 8140 calls) cegterg:upda : 3.63s CPU 3.66s WALL ( 8140 calls) cegterg:last : 2.58s CPU 2.61s WALL ( 1487 calls) cdiaghg:chol : 3.96s CPU 3.81s WALL ( 8456 calls) cdiaghg:inve : 2.64s CPU 2.76s WALL ( 8456 calls) cdiaghg:para : 4.35s CPU 4.38s WALL ( 16912 calls) Called by h_psi: h_psi:vloc : 37.36s CPU 38.90s WALL ( 8995 calls) h_psi:vnl : 13.37s CPU 13.73s WALL ( 8995 calls) add_vuspsi : 7.23s CPU 7.51s WALL ( 8995 calls) General routines calbec : 6.12s CPU 6.19s WALL ( 8995 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 33.44s CPU 34.85s WALL ( 1086744 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.14s WALL ( 632 calls) Parallel routines fft_scatter : 20.94s CPU 21.75s WALL ( 1086767 calls) PWSCF : 2m36.26s CPU 2m56.80s WALL This run was terminated on: 17:24:31 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=